SCHEMBL1087370

SCHEMBL1087370

OC1(Cc2ccccn2)CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 3/20 0.46
SLC6A4 P31645 2/20 0.44
CYP2D6 P10635 3/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 3/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 2/20 0.43
TSHR P16473 3/20 0.42
USP2 O75604 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL29571928 1.00 CYP46A1 (0.46) CYP46A1SLC6A4CYP2D6SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL20137891 0.98 CYP46A1 (0.45) CYP46A1SLC6A4CYP2D6SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL28636853 0.98 CYP46A1 (0.45) CYP46A1SLC6A4CYP2D6SLC6A2SLC6A3
Toluene SCHEMBL28146293 0.91 SLC6A4 (0.42) CYP46A1SLC6A4CYP2D6SLC6A2SLC6A3
Tert-Butyl Formate SCHEMBL28023820 0.84 CYP46A1 (0.40) CYP46A1SLC6A4CYP2D6SLC6A2SLC6A3
SCHEMBL20069016 0.80 SLC6A4 (0.44) SLC6A4CYP2D6SLC6A2SLC6A3ALDH1A1
Hydrochloric Acid SCHEMBL25402688 0.79 SLC6A4 (0.43) SLC6A4CYP2D6SLC6A2SLC6A3ALDH1A1
SCHEMBL27942394 0.78 SLC6A4 (0.44) SLC6A4CYP2D6SLC6A2SLC6A3ALDH1A1
SCHEMBL20070184 0.78 CYP46A1 (0.56) CYP46A1CYP1A2CYP2C19KMT2AGRIN2B
SCHEMBL25502398 0.78 CYP46A1 (0.55) CYP46A1ALDH1A1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11851434-B2 Substituted pyrazolo[1,5-A]pyrazine compounds as ret kinase inhibitors ARRAY BIOPHARMA INC. (US) 2023-12-26 US disclosed
US-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-10-05 US disclosed
US-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-10-05 US disclosed
EP-3571203-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2023-06-07 EP disclosed
US-11648243-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2023-05-16 US disclosed
EP-4144735-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS Array Biopharma, Inc. (US) 2023-03-08 EP disclosed
US-20220313676-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2022-10-06 US disclosed
EP-3523302-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2022-07-20 EP disclosed
WO-2022115620-A1 4-FLUORO-(4-(4-BENZYL)PIPERIDIN-1-YL)(2-(PYRIMIDIN-4-YL)PYRIDIN-3-YL)METHANONE DERIVATIVES AND SIMILAR COMPOUNDS AS CYP46A1 INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS SAGE THERAPEUTICS, INC. (US) 2022-06-02 WO disclosed
CN-110267960-B Substituted pyrazolo [1,5-a ] pyrazine compounds as RET kinase inhibitors 阿雷生物药品公司 2022-04-26 CN disclosed
US-20120258966-A1 PHARMACEUTICAL COMPOUNDS F. HOFFMAN-LA ROCHE AG (CH) 2012-10-11 US disclosed
US-8153629-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2012-04-10 US disclosed
CN-101087794-B Pharmaceutical compounds HOFFMANN LA ROCHE 2011-05-18 CN disclosed
WO-2010110400-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-09-30 WO disclosed
US-20100234370-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2010-09-16 US disclosed
US-7750002-B2 Pharmaceutical compounds PIRAMED LIMITED (GB) 2010-07-06 US disclosed
US-20080207611-A1 Pharmaceutical compounds PLRAMED LIMITED (GB) 2008-08-28 US disclosed
CN-101087794-A Pharmaceutical compounds PIRAMED LTD (GB) 2007-12-12 CN disclosed
EP-1812445-A1 PHARMACEUTICAL COMPOUNDS Piramed Limited (GB) 2007-08-01 EP disclosed
WO-2006046031-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2006-05-04 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 (7 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 CYP46A1 1/4885SLC6A4 411/4885CYP2D6 15/4885
US-20100234370-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 CYP46A1 1331/4885SLC6A4 2575/4885CYP2D6 921/4885
US-11648243-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 CYP46A1 4055/4885SLC6A4 3586/4885CYP2D6 3759/4885
US-11851434-B2 Substituted pyrazolo[1,5-A]pyrazine compounds as ret kinase inhibitors RET, BRAF, ROR1 CYP46A1 3995/4885SLC6A4 3259/4885CYP2D6 3470/4885
US-20080207611-A1 Pharmaceutical compounds PIK3CA, JAK2, PIK3R1 CYP46A1 1339/4885SLC6A4 2558/4885CYP2D6 934/4885
US-20120258966-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, JAK2, PIK3R1 CYP46A1 1331/4885SLC6A4 2575/4885CYP2D6 921/4885
US-20220313676-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 CYP46A1 4055/4885SLC6A4 3586/4885CYP2D6 3759/4885

“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.