SCHEMBL3765309

SCHEMBL3765309

NCC(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.45
SERPINE1 P05121 1/20 0.44
CNR2 P34972 1/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MGLL Q99685 1/20 0.42
F2 P00734 2/20 0.41
BLM P54132 1/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL2820382 0.79 SERPINE1 (0.47) SERPINE1POLBKDM4EBLMALDH1A1
SCHEMBL3765303 0.78 HSD11B1 (0.46) HSD11B1SERPINE1CNR2CA12CA1
Hydrochloric Acid SCHEMBL2818775 0.78 SERPINE1 (0.46) SERPINE1POLBKDM4EBLM
SCHEMBL3763865 0.77 PROKR1 (0.49) KDM4EPKMALDH1A1
SCHEMBL3456204 0.77 HSD11B1 (0.66) HSD11B1CNR2POLBKDM4EF2
SCHEMBL29944043 0.77 HSD11B1 (0.66) HSD11B1CNR2POLBKDM4EF2
SCHEMBL6266032 0.76 HPGD (0.66) HSD11B1KDM4EBLMALDH1A1
SCHEMBL3757796 0.76 BLM (0.70) CA12CA1CA2CA7CA9
SCHEMBL1222429 0.75 LMNA (0.67) CNR2KDM4EMGLLALDH1A1
SCHEMBL1222639 0.75 P2RX7 (0.56) KDM4E

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 HSD11B1 541/4885SERPINE1 2970/4885CNR2 568/4885

“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.