SCHEMBL753744

SCHEMBL753744

Fc1ccc(-c2ccc(F)nc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.55
CYP2B6 P20813 3/20 0.55
CYP2E1 P05181 1/20 0.55
CYP11B2 P19099 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
GRM5 P41594 1/20 0.45
MAPT P10636 1/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
JAK2 O60674 1/20 0.41
RET P07949 1/20 0.41
KDR P35968 1/20 0.41
GSK3A P49840 1/20 0.41
RPS6KA3 P51812 1/20 0.41
LIMK1 P53667 1/20 0.41
MAP2K1 Q02750 1/20 0.41
DYRK1A Q13627 1/20 0.41
MAPK14 Q16539 1/20 0.41
CLK4 Q9HAZ1 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
SCHEMBL26104326 0.89 CYP2A6 (0.64) CYP2A6CYP2B6CYP2E1CYP11B2CYP3A4
SCHEMBL134108 0.83 CYP2A6 (0.53) CYP2A6CYP2B6CYP2E1CYP11B2CYP3A4
SCHEMBL12947816 0.81 CYP2A6 (0.52) CYP2A6CYP2B6CYP2E1CYP11B2CYP3A4
SCHEMBL30098437 0.81 ALDH1A1 (0.56) CYP2A6CYP2B6CYP2E1CYP11B2CYP3A4
SCHEMBL22130223 0.81 ALDH1A1 (0.56) CYP2A6CYP2B6CYP2E1CYP11B2CYP3A4
SCHEMBL968383 0.81 CYP2A6 (0.52) CYP2A6CYP2B6CYP2E1CYP11B2CYP3A4
SCHEMBL3831923 0.81 CYP2A6 (0.57) CYP2A6CYP2B6CYP2E1CYP11B2CYP3A4
SCHEMBL21410153 0.81 CYP2A6 (0.52) CYP2A6CYP2B6CYP2E1CYP11B2CYP3A4
SCHEMBL15455285 0.79 CYP2A6 (0.50) CYP2A6CYP2B6CYP2E1CYP11B2CYP3A4
SCHEMBL415945 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889702-B2 Derivatives of azaspiranyl-alkylcarbamates of 5-member heterocyclic compounds, preparation thereof and therapeutic use thereof SANOFI (FR) 2014-11-18 US disclosed
US-8865738-B2 5-membered heterocyclic compound cyclopenta[C]pyrrolylalkylcarbamate derivatives, preparation thereof, and therapeutic use thereof SANOFI (FR) 2014-10-21 US disclosed
EP-2393809-B1 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-04-30 EP disclosed
EP-2429998-B1 5-MEMBERED HETEROCYCLIC COMPOUND CYCLOPENTA[C]PYRROLYLALKYLCARBAMATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2013-11-27 EP disclosed
US-20120136026-A1 5-MEMBERED HETEROCYCLIC COMPOUND CYCLOPENTA[C]PYRROLYLALKYLCARBAMATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-31 US disclosed
CN-102459189-A 5-membered heterocyclic compound cyclopenta [ c ] pyrrolylalkylcarbamate derivatives, preparation thereof, and therapeutic use thereof SANOFI AVENTIS 2012-05-16 CN disclosed
EP-2429998-A1 5-MEMBERED HETEROCYCLIC COMPOUND CYCLOPENTA[C]PYRROLYLALKYLCARBAMATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-21 EP disclosed
US-20110319381-A1 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-29 US disclosed
EP-2393809-A2 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-12-14 EP disclosed
WO-2010130943-A1 5-MEMBERED HETEROCYCLIC COMPOUND CYCLOPENTA[C]PYRROLYLALKYLCARBAMATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-11-18 WO disclosed
WO-2010089510-A2 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-12 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 (2 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-20110319381-A1 DERIVATIVES OF AZASPIRANYL-ALKYLCARBAMATES OF 5-MEMBER HETEROCYCLIC COMPOUNDS, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PRMT9, IDH3B, DHFR CYP2A6 350/4885CYP2B6 118/4885CYP2E1 794/4885
US-20120136026-A1 5-MEMBERED HETEROCYCLIC COMPOUND CYCLOPENTA[C]PYRROLYLALKYLCARBAMATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF CA9, SCN9A, CCR9 CYP2A6 978/4885CYP2B6 346/4885CYP2E1 1762/4885

“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.