SCHEMBL3757796

SCHEMBL3757796

NCC(=O)N1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.70
HPGD P15428 1/20 0.59
POLB P06746 1/20 0.59
ALDH1A1 P00352 4/20 0.57
USP2 O75604 1/20 0.57
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
TSHR P16473 2/20 0.56
ALOX15 P16050 1/20 0.56
HSD17B10 Q99714 1/20 0.56
SIGMAR1 Q99720 2/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 1/20 0.55
KCNH2 Q12809 1/20 0.55
MAOB P27338 1/20 0.54

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
SCHEMBL252026 0.84 HPGD (0.79) BLMHPGDPOLBALDH1A1USP2
SCHEMBL7129676 0.84 HPGD (0.79) BLMHPGDPOLBALDH1A1USP2
SCHEMBL3755574 0.83 POLB (0.66) POLBCA12CA1CA2CA7
Hydrochloric Acid SCHEMBL1597472 0.82 HPGD (0.76) BLMHPGDPOLBALDH1A1USP2
SCHEMBL24549804 0.82 BLM (0.70) BLMHPGDPOLBALDH1A1USP2
Sunifiram SCHEMBL195641 0.82 BLM (1.00) BLMHPGDPOLBALDH1A1USP2
SCHEMBL6814203 0.82 BLM (0.70) BLMHPGDPOLBALDH1A1USP2
SCHEMBL8225328 0.79 HPGD (0.66) BLMHPGDPOLBALDH1A1USP2
SCHEMBL10153569 0.79 KMT2A (0.69) BLMHPGDALDH1A1SIGMAR1MEN1
SCHEMBL3764370 0.79 MEN1 (0.65) HPGDALDH1A1TSHRSIGMAR1MEN1

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 BLM 4868/4885HPGD 503/4885POLB 1958/4885

“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.