SCHEMBL1591180

SCHEMBL1591180

C[C@H](C(N)=O)n1ccc2c(NC(=O)Cc3ccc(Cl)c(Cl)c3)cccc2c1=O

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.63
KDM4E B2RXH2 2/20 0.52
MAPT P10636 2/20 0.52
CLK1 P49759 1/20 0.52
TRPV1 Q8NER1 1/20 0.50
PARP14 Q460N5 1/20 0.46
KCNQ2 O43526 1/20 0.45
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
NTRK1 P04629 1/20 0.42

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
SCHEMBL1590258 1.00 P2RX7 (0.63) P2RX7KDM4EMAPTCLK1TRPV1
SCHEMBL1590253 1.00 P2RX7 (0.63) P2RX7KDM4EMAPTCLK1TRPV1
SCHEMBL8232236 0.93 P2RX7 (0.59) P2RX7KDM4EMAPTCLK1TRPV1
SCHEMBL1590639 0.92 P2RX7 (0.62) P2RX7KDM4EMAPTCLK1TRPV1
SCHEMBL1590644 0.92 P2RX7 (0.62) P2RX7KDM4EMAPTCLK1TRPV1
SCHEMBL1591767 0.92 P2RX7 (0.60) P2RX7KDM4EMAPTCLK1TRPV1
SCHEMBL1590565 0.92 P2RX7 (0.60) P2RX7KDM4EMAPTCLK1TRPV1
SCHEMBL1590564 0.92 P2RX7 (0.60) P2RX7KDM4EMAPTCLK1TRPV1
SCHEMBL1592043 0.92 P2RX7 (0.62) P2RX7KDM4EMAPTCLK1TRPV1
SCHEMBL1590706 0.89 P2RX7 (0.56) P2RX7KCNQ2MEN1KMT2AALDH1A1

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 P2RX7 1/4885KDM4E 4128/4885MAPT 4477/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885KDM4E 4128/4885MAPT 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.