SCHEMBL1590760

SCHEMBL1590760

O=C(CCc1ccc(Cl)cc1)Nc1cccc2c(=O)n(CC3(O)CCCCC3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.46
P2RX7 Q99572 6/20 0.44
MAPT P10636 2/20 0.41
TP53 P04637 2/20 0.41
KDM4E B2RXH2 1/20 0.40
USP7 Q93009 1/20 0.40
CHRM1 P11229 1/20 0.40
HTR2A P28223 1/20 0.40
MCHR1 Q99705 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
GRM2 Q14416 1/20 0.37
HCAR2 Q8TDS4 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
SCHEMBL1590689 0.91 TSHR (0.44) TRPV1P2RX7USP7ALOX15MAPK1
SCHEMBL1590878 0.88 GRM2 (0.49) P2RX7TP53KDM4EALDH1A1MEN1
SCHEMBL1589718 0.86 GRM2 (0.45) P2RX7MAPTTP53KDM4EALDH1A1
SCHEMBL1590248 0.86 GRM2 (0.46) P2RX7KDM4EUSP7MEN1KMT2A
SCHEMBL1590381 0.85 TP53 (0.40) P2RX7TP53KDM4EALDH1A1GRM2
SCHEMBL1591456 0.84 KDM4E (0.46) MAPTTP53KDM4EALDH1A1KMT2A
SCHEMBL1591392 0.83 GRM2 (0.51) KDM4EALDH1A1MAPK1CASP1GRM2
SCHEMBL1590633 0.83 POLB (0.41) P2RX7MAPTTP53KDM4EALDH1A1
SCHEMBL1589954 0.81 P2RX7 (0.45) P2RX7TP53KDM4EALDH1A1MEN1
SCHEMBL1591352 0.81 KCNQ2 (0.47) P2RX7MAPTKDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 US claimed
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
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US disclosed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US disclosed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 US 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 (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-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 TRPV1 19/4885P2RX7 1/4885MAPT 4477/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 TRPV1 19/4885P2RX7 1/4885MAPT 4477/4885

“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.