SCHEMBL4958825

SCHEMBL4958825

COC(=O)C1CC(CN)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.40
HSD17B10 Q99714 3/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTR2A P28223 4/20 0.38
HTR2C P28335 3/20 0.38
HTR2B P41595 3/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP2C19 P33261 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
SLC6A3 Q01959 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
SCHEMBL14567623 1.00 CYP1A2 (0.40) CYP1A2HSD17B10CYP3A4CYP2D6TSHR
SCHEMBL14379767 0.85 TSHR (0.44) CYP1A2HSD17B10TSHRHTR2AHTR2C
SCHEMBL15630930 0.79 HSD17B10 (0.43) CYP1A2HSD17B10CYP3A4CYP2D6TSHR
SCHEMBL5969960 0.79 HSD17B10 (0.43) CYP1A2HSD17B10CYP3A4CYP2D6TSHR
SCHEMBL5969962 0.79 HSD17B10 (0.43) CYP1A2HSD17B10CYP3A4CYP2D6TSHR
SCHEMBL5969963 0.79 HSD17B10 (0.43) CYP1A2HSD17B10CYP3A4CYP2D6TSHR
Hydrochloric Acid SCHEMBL5969854 0.78 HSD17B10 (0.42) CYP1A2HSD17B10CYP3A4CYP2D6TSHR
Hydrochloric Acid SCHEMBL5969851 0.78 HSD17B10 (0.42) CYP1A2HSD17B10CYP3A4CYP2D6TSHR
SCHEMBL7739986 0.74 CYP1A2 (0.39) CYP1A2HSD17B10CYP3A4CYP2D6TSHR
SCHEMBL8503094 0.72 PTGDR2 (0.45) CYP1A2HSD17B10CYP3A4CYP2D6TSHR

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383733-B1 PROCESS FOR THE PREPARATION OF 1,3-SUBSTITUTED INDENES AND ARYL-FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2008-03-05 EP disclosed
US-7285686-B2 Process for the preparation of 1,3-substituted indenes PFIZER INC (US) 2007-10-23 US disclosed
US-7205300-B2 Aryl fused azapolycyclic compounds PFIZER INC (US) 2007-04-17 US disclosed
US-20070066827-A1 Process for the preparation of aryl fused polycyclic lactams PFIZER INC. 2007-03-22 US disclosed
US-7186870-B2 Process for the preparation of 1,3-substituted indenes and aryl-fused azapolycyclic compounds PFIZER INC (US) 2007-03-06 US disclosed
US-7144882-B2 Aryl fused azapolycyclic compounds PFIZER INC (US) 2006-12-05 US disclosed
US-7091372-B2 Process for the preparation of 1,3-substituted indenes and aryl-fused azapolycyclic compounds PFIZER INC (US) 2006-08-15 US disclosed
EP-1259489-B1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2006-06-07 EP disclosed
US-20060079707-A1 Process for the preparation of 1,3-substituted indenes and aryl-fused azapolycyclic compounds PFIZER INC 2006-04-13 US disclosed
EP-1619192-A2 Aryl fused azapolycyclic compounds Pfizer Products Inc. (US) 2006-01-25 EP disclosed
EP-1587794-A1 PROCESS FOR THE PREPARATION OF ARYL FUSED POLYCYCLIC LACTAMS Pfizer Products Inc. (US) 2005-10-26 EP disclosed
EP-1567483-A1 IMPROVED PROCESS FOR THE PREPARATION OF 1,3-SUBSTITUTED INDENES Pfizer Products Inc. (US) 2005-08-31 EP disclosed
US-20050004379-A1 Process for the preparation of 1,3-substituted indenes PFIZER INC 2005-01-06 US disclosed
WO-2004063164-A1 PROCESS FOR THE PREPARATION OF ARYL FUSED POLYCYCLIC LACTAMS PFIZER PRODUCTS INC. (US) 2004-07-29 WO disclosed
WO-2004048318-A1 IMPROVED PROCESS FOR THE PREPARATION OF 1,3-SUBSTITUTED INDENES PFIZER PRODUCTS INC. (US) 2004-06-10 WO disclosed
EP-1383733-A2 PROCESS FOR THE PREPARATION OF 1,3-SUBSTITUTED INDENES AND ARYL-FUSED AZAPOLYCYCLIC COMPOUNDS Pfizer Products Inc. (US) 2004-01-28 EP disclosed
US-6605610-B1 Reducing nicotine addiction; treating neurological and psychological disorders PFIZER INC 2003-08-12 US disclosed
US-20030130260-A1 Aryl fused azapolycyclic compounds COE JOTHAM WADSWORTH (US) 2003-07-10 US disclosed
US-20030060624-A1 Process for the preparation of 1,3-substituted indenes and aryl-fused azapolycyclic componunds PFIZER INC. 2003-03-27 US disclosed
WO-2002085843-A2 PROCESS FOR THE PREPARATION OF 1,3-SUBSTITUTED INDENES AND ARYL-FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2002-10-31 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 (5 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-20050004379-A1 Process for the preparation of 1,3-substituted indenes NISCH, DHPS, INA CYP1A2 13/4885HSD17B10 1299/4885CYP3A4 28/4885
US-20030130260-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN3A CYP1A2 10/4885HSD17B10 790/4885CYP3A4 80/4885
US-20060079707-A1 Process for the preparation of 1,3-substituted indenes and aryl-fused azapolycyclic compounds CYP1B1, AZI2, CYP1A1 CYP1A2 5/4885HSD17B10 1502/4885CYP3A4 25/4885
US-20070066827-A1 Process for the preparation of aryl fused polycyclic lactams PAICS, GRIN2C, FDPS CYP1A2 165/4885HSD17B10 1619/4885CYP3A4 152/4885
US-20030060624-A1 Process for the preparation of 1,3-substituted indenes and aryl-fused azapolycyclic componunds INTS6, CYP1B1, CYP1A2 CYP1A2 3/4885HSD17B10 1110/4885CYP3A4 10/4885

“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.