SCHEMBL4416261

SCHEMBL4416261

CC(=O)c1cc2c(cc1O)C1CC2CN(C(=O)C(F)(F)F)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.36
▸ ESR2 Q92731 3/20 0.36
▸ HTT P42858 2/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.32
▸ TERT O14746 1/20 0.32
▸ CHRNA1 P02708 1/20 0.31
▸ CHRNG P07510 1/20 0.31
▸ CHRNB1 P11230 1/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ CHRND Q07001 1/20 0.31
▸ PRKDC P78527 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ HPGD P15428 1/20 0.30

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
SCHEMBL4409996 0.87 ESR1 (0.33) ESR1ESR2RXFP1TERT
SCHEMBL4409998 0.87 ESR1 (0.33) ESR1ESR2RXFP1TERT
SCHEMBL4407063 0.81 ESR1 (0.37) ESR1ESR2TERTMEN1KMT2A
SCHEMBL4410052 0.78 CHRNB2 (0.56) ESR1ESR2HTTCHRNA1CHRNG
SCHEMBL225186 0.77 ESR1 (0.37) ESR1ESR2CYP3A4CYP2C9CYP2C19
SCHEMBL4689632 0.77 CHRNB2 (0.41) ESR1ESR2CHRNB2CHRNA4CYP3A4
SCHEMBL29352110 0.77 ESR1 (0.37) ESR1ESR2CYP3A4CYP2C9CYP2C19
SCHEMBL13561414 0.77 ESR1 (0.37) ESR1ESR2CYP3A4CYP2C9CYP2C19
SCHEMBL4406652 0.76 ESR1 (0.34) ESR1ESR2CYP2C9HPGDCYP2C19
SCHEMBL4406850 0.76 ESR1 (0.52) ESR1ESR2CHRNA1CHRNGCHRNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1619192-B1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER PROD INC (US) 2009-12-30 — — EP disclosed
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-20070275973-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS PFIZER INC 2007-11-29 — — US disclosed
US-7205300-B2 Aryl fused azapolycyclic compounds PFIZER INC (US) 2007-04-17 — — 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
EP-1659114-A2 PROCESS FOR THE PREPARATION OF BICYCLO[3.2.1]OCTANE FUSED WITH QUINAZOLINE DERIVATIVES Pfizer Products Inc. (US) 2006-05-24 — — 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-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
US-20020132824-A1 Aryl fused azapolycyclic compounds COE JOTHAM WADSWORTH (US) 2002-09-19 — — US disclosed
US-20020111350-A1 Aryl fused azapolycyclic compounds COE JOTHAM WADSWORTH (US) 2002-08-15 — — US disclosed
US-6410550-B1 Aryl fused azapolycyclic compounds PFIZER INC 2002-06-25 — — US disclosed
US-20020072524-A1 Aryl fused azapolycyclic compounds WADSWORTH JOTHAM (US) 2002-06-13 — — US disclosed
US-20020072525-A1 Aryl fused azapolycyclic compounds PFIZER INC 2002-06-13 — — 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 (8 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-20020132824-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B ESR1 3094/4885ESR2 1196/4885HTT 205/4885
US-20030130260-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN3A ESR1 2825/4885ESR2 1314/4885HTT 125/4885
US-20020072524-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B ESR1 3094/4885ESR2 1196/4885HTT 205/4885
US-20060079707-A1 Process for the preparation of 1,3-substituted indenes and aryl-fused azapolycyclic compounds CYP1B1, AZI2, CYP1A1 ESR1 1209/4885ESR2 1472/4885HTT 2433/4885
US-20020111350-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B ESR1 3094/4885ESR2 1196/4885HTT 205/4885
US-20070275973-A1 ARYL FUSED AZAPOLYCYCLIC COMPOUNDS GRIN2C, GRIN2A, GRIN2B ESR1 1981/4885ESR2 1248/4885HTT 111/4885
US-20030060624-A1 Process for the preparation of 1,3-substituted indenes and aryl-fused azapolycyclic componunds INTS6, CYP1B1, CYP1A2 ESR1 2089/4885ESR2 1087/4885HTT 3705/4885
US-20020072525-A1 Aryl fused azapolycyclic compounds GRIN2C, GRIN2A, GRIN2B ESR1 3094/4885ESR2 1196/4885HTT 205/4885

“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.

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