SCHEMBL105403

SCHEMBL105403

Cc1cc(C#N)ccc1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
CYP2A6 P11509 2/20 0.43
HPGD P15428 1/20 0.41
AR P10275 4/20 0.37
TRPA1 O75762 1/20 0.36
LMNA P02545 1/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A2 P23975 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
EGLN2 Q96KS0 3/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
GLA P06280 1/20 0.34
CARM1 Q86X55 1/20 0.34
KDM4E B2RXH2 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28248925 0.89 CYP2A6 (0.44) ALDH1A1CYP2A6ARCYP11B1CYP11B2
SCHEMBL10304853 0.85 KIF11 (0.43) ALDH1A1CYP2A6HPGD
SCHEMBL10304761 0.83 CYP2A6 (0.43) ALDH1A1CYP2A6ARLMNACYP11B1
SCHEMBL13377029 0.83 CYP2A6 (0.41) ALDH1A1CYP2A6TRPA1LMNACHRM1
SCHEMBL19464642 0.81 CYP2A6 (0.38) ALDH1A1CYP2A6ARGLA
SCHEMBL23603542 0.81 PGR (0.44) ALDH1A1AR
SCHEMBL16954750 0.79 ALDH1A1 (0.41) ALDH1A1HPGDTRPA1LMNACHRM1
SCHEMBL19425844 0.79 PTGDR2 (0.42) ALDH1A1CYP2A6ARTRPA1LMNA
SCHEMBL19987487 0.79 CRHR1 (0.42) ALDH1A1CYP2A6AR
SCHEMBL21336611 0.78 CYP2A6 (0.36) ALDH1A1CYP2A6ARGLA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 111 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024006559-A1 MODULATORS OF NLRP3 INFLAMMASOME AND RELATED PRODUCTS AND METHODS Neumora Therapeutics, Inc. (US) 2024-01-04 WO disclosed
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
US-11780821-B2 Inhibitors of fibroblast activation protein Praxis Biotech LLC (US) 2023-10-10 US disclosed
US-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-10-05 US disclosed
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2023-09-05 US disclosed
EP-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP disclosed
US-20230227426-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE AKEBIA THERAPEUTICS, INC. (US) 2023-07-20 US disclosed
US-20230135560-A1 GEM-DISUBSTITUTED PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2023-05-04 US disclosed
WO-2023279986-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2023-01-12 WO disclosed
EP-4079724-A1 FUSED RING COMPOUND AND APPLICATION THEREOF Wuhan LL Science and Technology Development Co., Ltd. (CN) 2022-10-26 EP disclosed
US-20090179555-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-07-16 US disclosed
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-07-16 US disclosed
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-07-16 US disclosed
US-20090174316-A1 Novel red electroluminescent compounds and organi electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-07-09 US disclosed
US-20090153037-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same GRACEL DISPLAY INC. (KR) 2009-06-18 US disclosed
EP-2060579-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-05-20 EP disclosed
EP-2055710-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-05-06 EP disclosed
US-20080070902-A1 Cinnamide Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-03-20 US disclosed
WO-2007070514-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-B]PYRIDINES AND PYRROLO[2,3-B]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2007-06-21 WO disclosed
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer INCYTE CORPORATION 2007-06-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF CYP46A1, CYP26A1, CYP4A22 ALDH1A1 111/4885CYP2A6 10/4885HPGD 185/4885
US-20080070902-A1 Cinnamide Compound C1S, CCR1, CNR1 ALDH1A1 58/4885CYP2A6 158/4885HPGD 3921/4885
US-20090174316-A1 Novel red electroluminescent compounds and organi electroluminescent device using the same ALPI, IK, ALDH1A2 ALDH1A1 59/4885CYP2A6 3866/4885HPGD 3590/4885
US-20230135560-A1 GEM-DISUBSTITUTED PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC1R, MC3R, MC2R ALDH1A1 2971/4885CYP2A6 3790/4885HPGD 1990/4885
US-20090153037-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same NDUFS2, ALDH1A2, ODC1 ALDH1A1 5/4885CYP2A6 3248/4885HPGD 3081/4885
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer JAK1, JAK3, MAP3K4 ALDH1A1 2035/4885CYP2A6 2953/4885HPGD 1511/4885
US-20230227426-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE HIF1AN, EGLN3, PHF20 ALDH1A1 989/4885CYP2A6 2450/4885HPGD 39/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 ALDH1A1 3413/4885CYP2A6 2442/4885HPGD 1521/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 ALDH1A1 3413/4885CYP2A6 2442/4885HPGD 1521/4885
US-20090179555-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same NDUFS2, ALDH1A2, ODC1 ALDH1A1 5/4885CYP2A6 3248/4885HPGD 3081/4885
US-11780821-B2 Inhibitors of fibroblast activation protein FAP, FIBP, FRS2 ALDH1A1 3702/4885CYP2A6 4460/4885HPGD 2408/4885
US-11827662-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS ALDH1A1 2149/4885CYP2A6 3831/4885HPGD 864/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.