SCHEMBL4985309

SCHEMBL4985309

Cc1cccc(C(=O)N2CCc3c(ncnc3NC(=O)CC34CC5CC(CC(C5)C3)C4)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.44
P2RX7 Q99572 5/20 0.42
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
PAX8 Q06710 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRM5 P41594 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX12 P18054 1/20 0.39
EPHX2 P34913 3/20 0.39
TSHR P16473 1/20 0.39
GRM1 Q13255 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
SCHEMBL4990352 0.91 P2RX7 (0.43) ABCB11P2RX7GRM5ALDH1A1ALOX12
SCHEMBL4984781 0.90 GRM5 (0.44) ABCB11P2RX7SMN1; SMN2GRM5ALDH1A1
SCHEMBL4993440 0.90 ABCB11 (0.45) ABCB11P2RX7LMNASMN1; SMN2ALDH1A1
SCHEMBL4985087 0.90 GRM5 (0.37) ABCB11P2RX7MEN1LMNAKMT2A
SCHEMBL4986247 0.90 P2RX7 (0.47) ABCB11P2RX7MEN1KMT2AALDH1A1
SCHEMBL4984961 0.90 P2RX7 (0.49) ABCB11P2RX7MEN1KMT2AGRM5
SCHEMBL13532446 0.88 GRM5 (0.40) ABCB11P2RX7GRM5EPHX2GRM1
SCHEMBL14272283 0.88 TSHR (0.53) P2RX7LMNASMN1; SMN2GRM5ALDH1A1
SCHEMBL4991218 0.88 GRM5 (0.43) ABCB11P2RX7GRM5ALDH1A1ALOX12
SCHEMBL4991412 0.88 P2RX7 (0.45) ABCB11P2RX7LMNASMN1; SMN2GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US claimed
EP-1860942-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2007-12-05 EP claimed
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US claimed
WO-2006102610-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2006-09-28 WO claimed
US-20060217448-A1 e.g. 4-benzyl-N-[2-(2-chlorophenyl)ethyl]-4,7,9-triazabicyclo[4.4.0]deca-7,9,11-triene-10-carboxamide; antiinflammatory and analgesic agent; rheumatoid arthritis, osteoarthritis, Parkinson's disease, uveitis, asthma, cardiovascular conditions, myocardial infarction RENOVIS, INC. 2006-09-28 US claimed
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 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-20060217448-A1 e.g. 4-benzyl-N-[2-(2-chlorophenyl)ethyl]-4,7,9-triazabicyclo[4.4.0]deca-7,9,11-triene-10-carboxamide; antiinflammatory and analgesic agent; rheumatoid arthritis, osteoarthritis, Parkinson's disease, uveitis, asthma, cardiovascular conditions, myocardial infarction PARK7, UACA, PTGER4 ABCB11 4125/4885P2RX7 1619/4885MEN1 4084/4885
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 ABCB11 933/4885P2RX7 1/4885MEN1 4853/4885

“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.