SCHEMBL4982976

SCHEMBL4982976

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(Cc1ccc3cc[nH]c3c1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.40
FAAH O00519 1/20 0.39
TSHR P16473 1/20 0.39
P2RX3 P56373 1/20 0.37
P2RX2 Q9UBL9 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
EPHX2 P34913 4/20 0.35
GAA P10253 1/20 0.35
CYP2C19 P33261 1/20 0.35
CACNA1G O43497 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
KCNH2 Q12809 1/20 0.34
MCHR2 Q969V1 1/20 0.34
MCHR1 Q99705 1/20 0.34
EGFR P00533 1/20 0.34
FLT1 P17948 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
SCHEMBL4985472 0.94 P2RX7 (0.41) P2RX7FAAHTSHRALDH1A1LMNA
SCHEMBL4989353 0.90 FAAH (0.36) FAAHP2RX3P2RX2LMNASMN1; SMN2
SCHEMBL4985505 0.86 FAAH (0.38) FAAHTSHRP2RX3P2RX2ALDH1A1
SCHEMBL4980553 0.85 EPHX2 (0.41) P2RX7TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL4988113 0.85 P2RX7 (0.50) P2RX7TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL4986137 0.84 TSHR (0.43) P2RX7TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL4982679 0.84 TSHR (0.43) P2RX7TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL4982547 0.84 TSHR (0.43) P2RX7TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL4983637 0.84 P2RX7 (0.47) P2RX7TSHRALDH1A1LMNASMN1; SMN2
SCHEMBL5011770 0.84 P2RX7 (0.42) P2RX7TSHRALDH1A1LMNASMN1; SMN2

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 4 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
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 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 (1 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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885FAAH 494/4885TSHR 3850/4885

“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.