SCHEMBL3220514

SCHEMBL3220514

Cc1cc(C)nc(NC(=O)c2ccc(N3CCC4(C=Cc5ccccc54)CC3)nn2)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
SCN9A Q15858 1/20 0.41
SCD O00767 2/20 0.40
HSD11B1 P28845 1/20 0.40
OXTR P30559 1/20 0.40
PHGDH O43175 2/20 0.39
MCHR2 Q969V1 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3220511 1.00 LMNA (0.41) LMNAMAPTSCN9ASCDHSD11B1
SCHEMBL3228607 0.84 CCNA2 (0.42) SCN9ASCDHSD11B1OXTRMCHR2
SCHEMBL3228617 0.84 CCNA2 (0.42) SCN9ASCDHSD11B1OXTRMCHR2
SCHEMBL3230333 0.83 HSD11B1 (0.43) SCN9ASCDHSD11B1ALDH1A1SMN1; SMN2
SCHEMBL3230328 0.83 HSD11B1 (0.43) SCN9ASCDHSD11B1ALDH1A1SMN1; SMN2
SCHEMBL3229986 0.82 SCD (0.40) SCN9ASCDHSD11B1OXTRMCHR2
SCHEMBL3229992 0.82 SCD (0.40) SCN9ASCDHSD11B1OXTRMCHR2
SCHEMBL3225971 0.82 SCD (0.49) SCN9ASCDHSD11B1OXTRMCHR2
SCHEMBL3225964 0.82 SCD (0.49) SCN9ASCDHSD11B1OXTRMCHR2
SCHEMBL3231167 0.82 NPC1 (0.44) MAPTSCDHSD11B1OXTRALDH1A1

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 LMNA 400/4885MAPT 4738/4885SCN9A 810/4885

“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.