SCHEMBL306808

SCHEMBL306808

C[C@H](CO)n1ccc2c(NC(=O)Cc3ccc(C(F)(F)F)cc3)c(Cl)ccc2c1=O

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.63
NTRK1 P04629 4/20 0.44
NLRP3 Q96P20 1/20 0.40
CNR2 P34972 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38

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
SCHEMBL27776437 1.00 P2RX7 (0.63) P2RX7NTRK1NLRP3CNR2LMNA
SCHEMBL308141 0.90 P2RX7 (0.76) P2RX7NTRK1NLRP3LMNAPOLB
SCHEMBL14407705 0.90 P2RX7 (0.76) P2RX7NTRK1NLRP3LMNAPOLB
SCHEMBL306906 0.89 P2RX7 (0.66) P2RX7NTRK1LMNA
SCHEMBL27776446 0.89 P2RX7 (0.66) P2RX7NTRK1LMNA
SCHEMBL305748 0.88 P2RX7 (0.58) P2RX7NTRK1NLRP3CNR2LMNA
SCHEMBL306152 0.88 P2RX7 (0.58) P2RX7NTRK1NLRP3CNR2LMNA
SCHEMBL305747 0.88 P2RX7 (0.58) P2RX7NTRK1NLRP3CNR2LMNA
SCHEMBL308147 0.87 P2RX7 (0.59) P2RX7NTRK1NLRP3POLBKCNJ5
SCHEMBL27776464 0.87 P2RX7 (0.59) P2RX7NTRK1NLRP3POLBKCNJ5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093265-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2012-01-10 US claimed
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US claimed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US claimed
CN-101686680-A Bicyclic heteroaryl compounds as P2X7 modulators and uses thereof RENOVIS INC 2010-03-31 CN claimed
EP-2124562-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2009-12-02 EP claimed
US-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2008-11-20 US claimed
WO-2008112205-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2008-09-18 WO claimed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 US claimed
US-8093265-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2012-01-10 US 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-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US disclosed
CN-101686680-A Bicyclic heteroaryl compounds as P2X7 modulators and uses thereof RENOVIS INC 2010-03-31 CN disclosed
US-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2008-11-20 US disclosed
US-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2008-11-20 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 1/4885NTRK1 1972/4885NLRP3 74/4885
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885NTRK1 2309/4885NLRP3 72/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885NTRK1 2309/4885NLRP3 72/4885

“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.