SCHEMBL5838554

SCHEMBL5838554

Cc1ccc(C(NC(=O)c2cc(-n3cc[nH]c3=O)ccc2Cl)C2CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.49
HSD17B2 P37059 1/20 0.49
P2RX7 Q99572 3/20 0.41
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
KCNA5 P22460 1/20 0.38
AKT1 P31749 1/20 0.38
CNR1 P21554 6/20 0.37
CNR2 P34972 5/20 0.37
PDE2A O00408 4/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL6256315 0.90 HSD17B1 (0.43) HSD17B1HSD17B2P2RX7CCNA2CDK2
SCHEMBL5838165 0.90 HSD17B1 (0.40) HSD17B1HSD17B2P2RX7CCNA2CDK2
SCHEMBL5837478 0.86 HSD17B1 (0.51) HSD17B1HSD17B2P2RX7KCNA5AKT1
SCHEMBL5838979 0.84 P2RX7 (0.45) P2RX7CCNA2CDK2CCNA1CNR1
SCHEMBL5957075 0.84 P2RX7 (0.45) P2RX7CCNA2CDK2CCNA1CNR1
SCHEMBL1412884 0.83 P2RX7 (0.62) HSD17B1HSD17B2P2RX7AKT1NPC1
SCHEMBL5838248 0.81 HSD17B1 (0.50) HSD17B1HSD17B2P2RX7AKT1CNR1
SCHEMBL2181635 0.76 HSD17B1 (0.48) HSD17B1HSD17B2P2RX7KCNA5AKT1
SCHEMBL5838927 0.76 HSD17B1 (0.42) HSD17B1HSD17B2P2RX7KCNA5PDE2A
SCHEMBL1412963 0.75 P2RX7 (0.49) HSD17B1HSD17B2P2RX7PDE2A

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-20060217430-A1 Benzamide inhibitors of the P2X7 receptor DOMBROSKI MARK A 2006-09-28 US disclosed
US-7071223-B1 Benzamide inhibitors of the P2X7 receptor PFIZER, INC. (US) 2006-07-04 US disclosed
EP-1581507-A1 BENZAMIDE INHIBITORS OF THE P2X7 RECEPTOR Pfizer Products Inc. (US) 2005-10-05 EP disclosed
WO-2004058731-A1 BENZAMIDE INHIBITORS OF THE P2X7 RECEPTOR PFIZER PRODUCTS INC. (US) 2004-07-15 WO 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-20060217430-A1 Benzamide inhibitors of the P2X7 receptor IL1R1, P2RY1, P2RX1 HSD17B1 3394/4885HSD17B2 3943/4885P2RX7 7/4885

“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.