SCHEMBL4991412

SCHEMBL4991412

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(C(=O)c1cccc(C(F)(F)F)c1)C2

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.45
GRM5 P41594 2/20 0.41
ABL1 P00519 2/20 0.40
BCR P11274 2/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
ABCB11 O95342 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TRPV1 Q8NER1 1/20 0.38
EPHX2 P34913 1/20 0.38
KDR P35968 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
SCHEMBL4986178 0.90 GPR55 (0.40) P2RX7ABCB11TRPV1EPHX2
SCHEMBL4986581 0.90 P2RX7 (0.45) P2RX7GRM5ABL1BCRLMNA
SCHEMBL4984781 0.90 GRM5 (0.44) P2RX7GRM5HPGDABCB11SMN1; SMN2
SCHEMBL4989647 0.89 TSHR (0.37) P2RX7GRM5POLBABCB11EPHX2
SCHEMBL13532449 0.89 P2RX7 (0.46) P2RX7GRM5ABL1BCRLMNA
SCHEMBL4990352 0.89 P2RX7 (0.43) P2RX7GRM5POLBABCB11
SCHEMBL14272285 0.89 TSHR (0.50) P2RX7GRM5ABL1BCRLMNA
SCHEMBL4989508 0.88 MAPK7 (0.41) P2RX7GRM5ABL1BCRABCB11
SCHEMBL4985309 0.88 ABCB11 (0.44) P2RX7GRM5LMNAABCB11SMN1; SMN2
SCHEMBL4986247 0.87 P2RX7 (0.47) P2RX7ABCB11

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 7 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
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 P2RX7 1619/4885GRM5 1375/4885ABL1 3982/4885
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885GRM5 231/4885ABL1 4616/4885

“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.