SCHEMBL4986930

SCHEMBL4986930

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(Cc1cccc(C(F)(F)F)c1)C2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.41
FAAH O00519 1/20 0.40
ADORA1 P30542 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDR P35968 2/20 0.39
EGFR P00533 2/20 0.39
TRPV1 Q8NER1 1/20 0.38
GPR52 Q9Y2T5 1/20 0.38
C5AR1 P21730 1/20 0.38
GRM2 Q14416 1/20 0.38
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
TSHR P16473 1/20 0.37
EPHX2 P34913 1/20 0.37
P2RX7 Q99572 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
SCHEMBL4985518 0.90 TSHR (0.41) SIGMAR1SMN1; SMN2TRPV1GRM2TSHR
SCHEMBL14272470 0.90 TSHR (0.49) SIGMAR1FAAHADORA1SMN1; SMN2KDR
SCHEMBL4989721 0.90 MKNK1 (0.40) SIGMAR1EGFRGRM2TSHREPHX2
SCHEMBL4988666 0.89 TSHR (0.37) SMN1; SMN2GPR52GRM2TSHREPHX2
SCHEMBL5011770 0.89 P2RX7 (0.42) SMN1; SMN2TSHREPHX2P2RX7
SCHEMBL4985261 0.88 EPHX2 (0.41) GPR52EPHX2P2RX7
SCHEMBL4987990 0.88 P2RX7 (0.42) SMN1; SMN2TSHREPHX2P2RX7
SCHEMBL4983637 0.87 P2RX7 (0.47) SMN1; SMN2TSHRP2RX7
SCHEMBL4986200 0.87 GPR142 (0.38) SMN1; SMN2TRPV1GPR52TSHREPHX2
SCHEMBL4992261 0.87 C5AR1 (0.41) KDRTRPV1C5AR1TSHRP2RX7

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 SIGMAR1 1886/4885FAAH 171/4885ADORA1 2059/4885
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 SIGMAR1 681/4885FAAH 494/4885ADORA1 39/4885

“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.