SCHEMBL4985472

SCHEMBL4985472

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(Cc1ccc3[nH]ccc3c1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.41
FAAH O00519 1/20 0.40
MCHR1 Q99705 3/20 0.40
TSHR P16473 1/20 0.38
EGFR P00533 3/20 0.38
FLT1 P17948 1/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
CHRM4 P08173 1/20 0.35
GAA P10253 1/20 0.35
CYP2C19 P33261 1/20 0.35
ERBB2 P04626 1/20 0.35
KCNH2 Q12809 1/20 0.35
MCHR2 Q969V1 1/20 0.35
ROCK2 O75116 1/20 0.34

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
SCHEMBL4982976 0.94 P2RX7 (0.40) P2RX7FAAHMCHR1TSHREGFR
SCHEMBL4980553 0.85 EPHX2 (0.41) P2RX7TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL4988113 0.84 P2RX7 (0.50) P2RX7TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL4989353 0.84 FAAH (0.36) FAAHMCHR1EGFRFLT1LMNA
SCHEMBL4982679 0.83 TSHR (0.43) P2RX7TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL4986137 0.83 TSHR (0.43) P2RX7TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL4982547 0.83 TSHR (0.43) P2RX7TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL4983637 0.83 P2RX7 (0.47) P2RX7TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL5011770 0.83 P2RX7 (0.42) P2RX7TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL4980831 0.83 HTR2B (0.41) P2RX7TSHREGFRALDH1A1LMNA

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 1619/4885FAAH 171/4885MCHR1 2016/4885
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885FAAH 494/4885MCHR1 2392/4885

“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.