SCHEMBL4992453

SCHEMBL4992453

CC(CN1CCc2[c]nc(C(N)=O)nc2C1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
GRM2 Q14416 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.38
GFER P55789 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
S1PR5 Q9H228 1/20 0.37
HPGD P15428 1/20 0.37
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
POLB P06746 2/20 0.34
GRM5 P41594 1/20 0.34
PRMT5 O14744 3/20 0.33
WDR77 Q9BQA1 3/20 0.33

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
SCHEMBL4986192 0.90 GRM2 (0.40) KMT2AGRM2ALDH1A1S1PR5HPGD
SCHEMBL4989112 0.82 OPRM1 (0.35) OPRM1OPRD1OPRK1
SCHEMBL4989498 0.78 MAPT (0.39) KMT2AALDH1A1KDM4EHPGDPOLB
SCHEMBL4985154 0.78 GRM5 (0.36) KMT2AALDH1A1OPRM1OPRD1OPRK1
SCHEMBL4988534 0.78 OPRM1 (0.43) GRM2OPRM1OPRD1OPRK1
SCHEMBL4989567 0.78 TSHR (0.39) KMT2AALDH1A1KDM4E
SCHEMBL4985381 0.76 PARP1 (0.33) GRM2ALDH1A1L3MBTL1
SCHEMBL4988945 0.76 KDM4E (0.40) KMT2AGRM2ALDH1A1KDM4EHPGD
SCHEMBL4989374 0.76 HRH3 (0.43) KMT2AOPRM1OPRD1OPRK1
SCHEMBL4982815 0.76 MEN1 (0.45) KMT2AALDH1A1KDM4E

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 2 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

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 KMT2A 4614/4885GRM2 332/4885ALDH1A1 3640/4885

“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.