SCHEMBL4985505

SCHEMBL4985505

CC(C)(C(=O)Nc1ncnc2c1CCN(Cc1ccc3cc[nH]c3c1)C2)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.38
TSHR P16473 1/20 0.38
P2RX3 P56373 1/20 0.37
P2RX2 Q9UBL9 1/20 0.37
MCHR1 Q99705 3/20 0.33
BRS3 P32247 2/20 0.33
MAPK1 P28482 2/20 0.33
KCNH2 Q12809 1/20 0.33
MCHR2 Q969V1 1/20 0.33
MAP3K11 Q16584 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
ROCK2 O75116 1/20 0.33
GRM2 Q14416 2/20 0.32
EGFR P00533 1/20 0.32
FLT1 P17948 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32

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 0.86 P2RX7 (0.40) FAAHTSHRP2RX3P2RX2MCHR1
SCHEMBL4986944 0.85 TSHR (0.42) TSHRBRS3MAPK1GRM2KDM4E
SCHEMBL4985286 0.84 KMT2A (0.43) TSHRBRS3MAPK1KDM4ENPC1
SCHEMBL4989594 0.84 KMT2A (0.40) FAAHTSHRMCHR1NPC1ALDH1A1
SCHEMBL4985472 0.81 P2RX7 (0.41) FAAHTSHRMCHR1KCNH2MCHR2
SCHEMBL4989353 0.79 FAAH (0.36) FAAHP2RX3P2RX2MCHR1KCNH2
SCHEMBL5141473 0.79 TSHR (0.41) FAAHTSHRBRS3CHRM1CHRM3
SCHEMBL4991957 0.79 TSHR (0.38) TSHRGRM2ALDH1A1
SCHEMBL4985252 0.79 KMT2A (0.39) FAAHTSHRBRS3MAPK1KCNH2
SCHEMBL5016784 0.79 TSHR (0.39) TSHRMAPK1GRM2KDM4EALDH1A1

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 FAAH 494/4885TSHR 3850/4885P2RX3 2/4885

“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.