SCHEMBL3759196

SCHEMBL3759196

NC(=O)C(=O)N1CCN(C(=O)c2ccccc2O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 4/20 0.48
TSHR P16473 4/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MGLL Q99685 2/20 0.48
USP2 O75604 1/20 0.47
HTT P42858 2/20 0.46
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
CA1 P00915 3/20 0.44
CA9 Q16790 3/20 0.44
CA12 O43570 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA14 Q9ULX7 2/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL11718417 0.88 MEN1 (0.61) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL31347868 0.88 MEN1 (0.61) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL3762957 0.83 CA12 (0.57) MEN1KMT2AALDH1A1TSHRMGLL
SCHEMBL3760551 0.82 TSHR (0.50) MEN1KMT2AALDH1A1TSHRUSP2
SCHEMBL3762762 0.82 RAB9A (0.65) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL3764907 0.82 ALDH1A1 (0.63) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL3753419 0.82 TSHR (0.65) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL3757744 0.82 HTT (0.71) ALDH1A1TSHRMAPTHPGDHSD17B10
SCHEMBL1008405 0.80 MAPT (0.65) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL29940966 0.80 HTT (0.62) MEN1KMT2AALDH1A1TSHRKDM4E

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 5 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
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 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-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 MEN1 4883/4885KMT2A 1389/4885ALDH1A1 969/4885

“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.