SCHEMBL3228617

SCHEMBL3228617

Cc1cc(NC(=O)c2ccc(N3CCC4(C=Cc5ccccc54)CC3)nn2)n[nH]1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.42
CDK2 P24941 2/20 0.42
CCNA1 P78396 2/20 0.42
SCN9A Q15858 1/20 0.41
SCD O00767 1/20 0.40
HSD11B1 P28845 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
RET P07949 1/20 0.38
OXTR P30559 1/20 0.38
MCHR2 Q969V1 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3228607 1.00 CCNA2 (0.42) CCNA2CDK2CCNA1SCN9ASCD
SCHEMBL3230328 0.84 HSD11B1 (0.43) SCN9ASCDHSD11B1NPC1RAB9A
SCHEMBL3230333 0.84 HSD11B1 (0.43) SCN9ASCDHSD11B1NPC1RAB9A
SCHEMBL3220511 0.84 LMNA (0.41) SCN9ASCDHSD11B1OXTRMCHR2
SCHEMBL3220514 0.84 LMNA (0.41) SCN9ASCDHSD11B1OXTRMCHR2
SCHEMBL3225971 0.82 SCD (0.49) SCN9ASCDHSD11B1OXTRMCHR2
SCHEMBL3225964 0.82 SCD (0.49) SCN9ASCDHSD11B1OXTRMCHR2
SCHEMBL3230839 0.81 SCD (0.41) SCN9ASCDHSD11B1OXTRMCHR2
SCHEMBL3230828 0.81 SCD (0.41) SCN9ASCDHSD11B1OXTRMCHR2
SCHEMBL3232931 0.81 SCD (0.42) SCN9ASCDHSD11B1OXTR

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-8575167-B2 Spiro compounds having stearoyl-CoA desaturase action TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-05 US disclosed
US-20100069351-A1 SPIRO COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 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-20100069351-A1 SPIRO COMPOUND AND USE THEREOF SCD, SPR, SCD5 CCNA2 584/4885CDK2 160/4885CCNA1 356/4885

“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.