SCHEMBL3760554

SCHEMBL3760554

CC(=O)c1ccccc1C(=O)N1CCN(C(=O)CN)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
ALDH1A1 P00352 2/20 0.49
USP2 O75604 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 2/20 0.47
SIGMAR1 Q99720 1/20 0.47
BLM P54132 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL3757745 0.84 HTT (0.69) TSHRALDH1A1USP2HTTMAPT
SCHEMBL3759197 0.83 RAB9A (0.49) TSHRALDH1A1USP2MEN1KMT2A
SCHEMBL3762963 0.83 CA12 (0.56) TSHRALDH1A1USP2MEN1KMT2A
SCHEMBL3764910 0.81 ALDH1A1 (0.61) TSHRALDH1A1MEN1KMT2AHTT
SCHEMBL3762764 0.81 RAB9A (0.68) ALDH1A1MEN1KMT2AHTTRAB9A
SCHEMBL3753422 0.81 TSHR (0.68) TSHRALDH1A1USP2MEN1KMT2A
SCHEMBL3762377 0.81 HTT (0.71) TSHRALDH1A1MEN1KMT2AHTT
SCHEMBL3760551 0.79 TSHR (0.50) TSHRALDH1A1USP2MEN1KMT2A
SCHEMBL1221946 0.78 CYP2C9 (0.57)
SCHEMBL3757796 0.77 BLM (0.70) TSHRALDH1A1USP2MEN1KMT2A

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-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 US claimed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 US claimed
US-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 US disclosed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 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-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 TSHR 4601/4885ALDH1A1 969/4885USP2 1123/4885

“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.