SCHEMBL2740499

SCHEMBL2740499

Cc1ccccc1C(=O)N1CCN(C(=O)CC(=O)Nc2ccc(-c3ccccc3)nc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
USP2 O75604 1/20 0.52
TSHR P16473 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HTT P42858 4/20 0.50
LMNA P02545 3/20 0.50
PORCN Q9H237 1/20 0.47
PKM P14618 1/20 0.47
WNT3A P56704 7/20 0.46
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 2/20 0.44

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
SCHEMBL225892 0.88 WNT3A (0.46) LMNAPORCNWNT3AALDH1A1SMN1; SMN2
SCHEMBL221711 0.86 MAPT (0.61) MAPTUSP2TSHRCASP1CASP7
SCHEMBL225822 0.85 SCD (0.48) WNT3A
SCHEMBL2740491 0.82 MAPT (0.48) MAPTUSP2TSHRCASP1CASP7
SCHEMBL69071 0.82 EPHX2 (0.45) PORCNWNT3ASMN1; SMN2
SCHEMBL2740501 0.82 MAPT (0.61) MAPTUSP2TSHRCASP1CASP7
SCHEMBL2740478 0.81 POLB (0.53) MAPTUSP2TSHRCASP1CASP7
SCHEMBL2740484 0.80 HTT (0.47) MAPTUSP2TSHRCASP1CASP7
SCHEMBL224151 0.80 WNT3A (0.45) USP2LMNAPORCNWNT3ASMN1; SMN2
SCHEMBL2740487 0.77 MAPT (0.52) MAPTUSP2TSHRCASP1CASP7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004213-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2012-01-05 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-20120004213-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 MAPT 3595/4885USP2 1123/4885TSHR 4601/4885

“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.