SCHEMBL179340

SCHEMBL179340

CC(C)(C)C1CCN(CCO)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.43
CYP2D6 P10635 2/20 0.40
ALOX15 P16050 2/20 0.40
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD11B1 P28845 1/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 2/20 0.37
HTT P42858 2/20 0.37
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
PKM P14618 1/20 0.36
SIGMAR1 Q99720 2/20 0.35

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
SCHEMBL17281927 0.88 CYP1A2 (0.45) CYP2D6ALOX15CYP1A2HSD11B1LMNA
SCHEMBL20541135 0.85 SLC18A3 (0.42) SLC18A3ALOX15ALDH1A1KDM4ELMNA
SCHEMBL15222423 0.81 HTR1A (0.42) CYP2D6ALOX15CYP1A2KDM4EHSD11B1
SCHEMBL179383 0.80 DRD2 (0.44) CYP2D6ALOX15CYP1A2HSD11B1
SCHEMBL19420814 0.79 CYP2D6 (0.38) CYP2D6ALDH1A1HSD11B1TSHRKCNH2
SCHEMBL25063762 0.78 ALOX15 (0.44) CYP2D6ALOX15CYP1A2HSD11B1TSHR
SCHEMBL3318265 0.78 ALOX15 (0.50) CYP2D6ALOX15CYP1A2HSD11B1TSHR
SCHEMBL25746650 0.78 CYP2D6 (0.40) CYP2D6ALOX15CYP1A2HSD11B1TSHR
SCHEMBL19959029 0.78 CYP2D6 (0.40) CYP2D6ALOX15CYP1A2HSD11B1TSHR
SCHEMBL1473088 0.78 KMT2A (0.46) SLC18A3ALDH1A1KDM4EHSD11B1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-11-23 US disclosed
US-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-11-23 US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
US-20230331657-A1 NANOMATERIALS COMPRISING ESTER-LINKED ACETALS BEAM THERAPEUTICS INC. 2023-10-19 US disclosed
US-20230331657-A1 NANOMATERIALS COMPRISING ESTER-LINKED ACETALS BEAM THERAPEUTICS INC. 2023-10-19 US disclosed
US-20230192701-A1 BICYCLIC KINASE INHIBITORS AND USES THEREOF IOMX THERAPEUTICS AG (DE) 2023-06-22 US disclosed
WO-2023104155-A1 LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF 标新生物医药科技(上海)有限公司 2023-06-15 WO disclosed
US-20110200587-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-18 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-02 US disclosed
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2011-02-24 US disclosed
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2011-02-24 US disclosed
US-20100204208-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF MIDCAP FINANCIAL TRUST 2010-08-12 US disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 US disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 US disclosed
WO-2009088986-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. (US) 2009-07-16 WO 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-20110200587-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, ESRRG SLC18A3 4435/4885CYP2D6 2109/4885ALOX15 1269/4885
US-20230373960-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS EGFR, ERBB2, ERBB4 SLC18A3 3144/4885CYP2D6 2614/4885ALOX15 4811/4885
US-20100204208-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF PRKCH, PRKCA, PRKCB SLC18A3 3789/4885CYP2D6 4196/4885ALOX15 3351/4885
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB SLC18A3 4304/4885CYP2D6 2766/4885ALOX15 2784/4885
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD SLC18A3 4449/4885CYP2D6 2650/4885ALOX15 2558/4885
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO SLC18A3 2287/4885CYP2D6 7/4885ALOX15 1001/4885
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS TYRO3, LCK, LTK SLC18A3 3239/4885CYP2D6 669/4885ALOX15 3124/4885
US-20230331657-A1 NANOMATERIALS COMPRISING ESTER-LINKED ACETALS LIPA, SGMS1, SGMS2 SLC18A3 3831/4885CYP2D6 2462/4885ALOX15 546/4885
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 SLC18A3 4711/4885CYP2D6 274/4885ALOX15 1384/4885
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A SLC18A3 3677/4885CYP2D6 3731/4885ALOX15 1510/4885
US-20230192701-A1 BICYCLIC KINASE INHIBITORS AND USES THEREOF MITF, PRKDC, PRKACA SLC18A3 4530/4885CYP2D6 4307/4885ALOX15 4426/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB SLC18A3 4838/4885CYP2D6 2664/4885ALOX15 4081/4885

“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.