SCHEMBL3755574

SCHEMBL3755574

NCC(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.66
CA12 O43570 2/20 0.60
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
CA7 P43166 2/20 0.60
CA9 Q16790 2/20 0.60
CA14 Q9ULX7 2/20 0.60
CYP3A4 P08684 1/20 0.55
DPP4 P27487 1/20 0.55
HSD11B1 P28845 1/20 0.54
HSP90AA1 P07900 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.51
EPHX2 P34913 1/20 0.51

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
SCHEMBL6985975 0.86 CA12 (0.71) POLBCA12CA1CA2CA7
SCHEMBL22305103 0.86 CA12 (0.71) POLBCA12CA1CA2CA7
SCHEMBL1655615 0.84 POLB (0.62) POLBCA12CA1CA2CA7
SCHEMBL7838280 0.83 BLM (0.71) POLBCA12CA1CA2CA7
SCHEMBL3757796 0.83 BLM (0.70) POLBCA12CA1CA2CA7
SCHEMBL3764370 0.83 MEN1 (0.65) CYP3A4DPP4HSD11B1SMN1; SMN2EPHX2
SCHEMBL23775626 0.81 CA12 (0.57) POLBCA12CA1CA2CA7
SCHEMBL14489710 0.80 POLB (0.69) POLBCA12CA1CA2CA9
SCHEMBL3047748 0.79 CA12 (0.63) POLBCA12CA1CA2CA7
Hydrochloric Acid SCHEMBL5427244 0.79 POLB (0.68) POLBCA12CA1CA2CA9

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 POLB 1958/4885CA12 4790/4885CA1 4566/4885

“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.