SCHEMBL171441

SCHEMBL171441

COc1cc(CC(C)C)cc(OC)c1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
TAAR1 Q96RJ0 2/20 0.47
CYP19A1 P11511 1/20 0.44
SLC6A4 P31645 1/20 0.42
AKR1B1 P15121 1/20 0.41
CALM1 P0DP23 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL12888777 0.88 MAOB (0.43) ALDH1A1TAAR1
SCHEMBL15267204 0.87 TACR1 (0.45) ALDH1A1TAAR1SLC6A4
SCHEMBL22861116 0.87 TAAR1 (0.42) ALDH1A1TAAR1CYP19A1SLC6A4
SCHEMBL16956694 0.86 TAAR1 (0.41) ALDH1A1TAAR1CYP19A1SLC6A4
SCHEMBL21102076 0.86 MAOB (0.41) ALDH1A1TAAR1SLC6A4
SCHEMBL26014641 0.86 MAOB (0.41) ALDH1A1TAAR1SLC6A4TSHR
SCHEMBL20821162 0.86 CALM1 (0.56) TAAR1AKR1B1CALM1CYP1A1CYP1B1
SCHEMBL14551463 0.86 DAO (0.44) ALDH1A1TAAR1SLC6A4AKR1B1CALM1
SCHEMBL25468628 0.82 HMGCR (0.44) ALDH1A1TAAR1SLC6A4CALM1
SCHEMBL16953429 0.82 TAAR1 (0.39) ALDH1A1TAAR1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20230203096-A1 EPHA4 TARGETING COMPOUNDS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-29 US disclosed
US-20230203096-A1 EPHA4 TARGETING COMPOUNDS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-29 US disclosed
US-20230042837-A1 CYCLIC COMPOUNDS FOR TREATING CANCER UNIVERSITY OF SOUTH FLORIDA 2023-02-09 US disclosed
US-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2022-12-15 US disclosed
WO-2022221774-A1 ARYL-RING-SUBSTITUTED 3-PHENYLAZETIDINES AND THEIR USE IN METHODS FOR TREATING 5-HT2 RESPONSIVE CONDITIONS ELEUSIS THERAPEUTICS US, INC. (US) 2022-10-20 WO disclosed
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2022-05-17 US disclosed
US-11247965-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2022-02-15 US disclosed
US-20210171439-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. (US) 2021-06-10 US disclosed
EP-1131290-B1 PIPERIDINE CCR-3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-02-20 EP disclosed
US-7300936-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 US disclosed
US-7300936-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 US disclosed
US-7241780-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOLS-MYERS SQUIBB COMPANY (US) 2007-07-10 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
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 US disclosed
US-6770650-B2 CHEMOKINE RECEPTOR (CCR) ANTAGONISTS SUCH AS N-(1(S)-(4-(3,4-DICHLOROBENZYL)PIPERAZIN-1-YLMETHYL)-2-METHYLPROPYL)-4 -METHYLBENZAMIDE DIHYDROCHLORIDE SALT FOR TREATMENT OF ASTHMA SYNTEX (U.S.A.) LLC 2004-08-03 US disclosed
US-6342509-B1 ANTIASTHMATICS, ANTIHISTAMINES OR BRONCHODIALATORS SYNTEX (U.S.A.) LLC 2002-01-29 US disclosed
US-6339087-B1 FOR THERAPY OF INFLAMMATORY OR ALLERGIC DISEASES ARE SELECTED FROM ASTHMA, ALLERGIC RHINITIS, HYPERSENSITIVITY LUNG DISEASES, HYPERSENSITIVITY PNEUMONITIS, EOSINOPHILIC PNEUMONIAS, INFLAMMATORY BOWEL DISEASES, PSORIASIS, DERMATITIS SYNTEX (U.S.A.) LLC 2002-01-15 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 (9 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-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 ALDH1A1 3413/4885TAAR1 3993/4885CYP19A1 3976/4885
US-20210171439-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885TAAR1 3689/4885CYP19A1 4531/4885
US-20230203096-A1 EPHA4 TARGETING COMPOUNDS AND METHODS OF USE THEREOF EPHA4, EPHA1, EPHA5 ALDH1A1 1458/4885TAAR1 1716/4885CYP19A1 1213/4885
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 2035/4885TAAR1 3174/4885CYP19A1 3424/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 ALDH1A1 3413/4885TAAR1 3993/4885CYP19A1 3976/4885
US-11247965-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP ALDH1A1 3850/4885TAAR1 3689/4885CYP19A1 4531/4885
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 ALDH1A1 3413/4885TAAR1 3993/4885CYP19A1 3976/4885
US-20230042837-A1 CYCLIC COMPOUNDS FOR TREATING CANCER EGFR, ERBB3, ERBB2 ALDH1A1 4556/4885TAAR1 4086/4885CYP19A1 4076/4885
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, ACACA ALDH1A1 1055/4885TAAR1 2294/4885CYP19A1 657/4885

“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.