SCHEMBL307645

SCHEMBL307645

CC(CO)n1ccc2c(NC(=O)Cc3ccc(F)c(C(F)(F)F)c3)c(Cl)ccc2c1=O

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.73
TRPV1 Q8NER1 2/20 0.40
NTRK1 P04629 2/20 0.39
CTSD P07339 1/20 0.37

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
SCHEMBL307164 1.00 P2RX7 (0.73) P2RX7TRPV1NTRK1CTSD
SCHEMBL12702966 0.93 P2RX7 (0.63) P2RX7TRPV1CTSD
SCHEMBL305888 0.93 P2RX7 (0.84) P2RX7NTRK1
SCHEMBL306977 0.93 P2RX7 (0.84) P2RX7NTRK1
SCHEMBL305887 0.93 P2RX7 (0.84) P2RX7NTRK1
SCHEMBL307056 0.91 P2RX7 (0.87) P2RX7NTRK1CTSD
SCHEMBL325792 0.91 P2RX7 (0.87) P2RX7NTRK1CTSD
SCHEMBL306170 0.89 P2RX7 (0.59) P2RX7TRPV1CTSD
SCHEMBL306169 0.89 P2RX7 (0.59) P2RX7TRPV1CTSD
SCHEMBL305293 0.89 P2RX7 (0.69) P2RX7NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101686680-A Bicyclic heteroaryl compounds as P2X7 modulators and uses thereof RENOVIS INC 2010-03-31 CN claimed
EP-2124562-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-04-20 EP disclosed
EP-1933622-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 EP disclosed
US-8093265-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2012-01-10 US disclosed
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US disclosed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US disclosed
CN-101686680-A Bicyclic heteroaryl compounds as P2X7 modulators and uses thereof RENOVIS INC 2010-03-31 CN disclosed
CN-101442909-A Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS INC (US) 2009-05-27 CN disclosed
US-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2008-11-20 US disclosed
EP-1933622-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2008-06-25 EP disclosed
WO-2007109192-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO disclosed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 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 (3 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-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885TRPV1 19/4885NTRK1 1972/4885
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885TRPV1 19/4885NTRK1 2309/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885TRPV1 19/4885NTRK1 2309/4885

“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.