SCHEMBL3765874

SCHEMBL3765874

NC(=O)C(=O)N1CCN(C(=O)c2ccc(Cl)nc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.61
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
NAPRT Q6XQN6 1/20 0.47
MMP2 P08253 2/20 0.45
MMP9 P14780 2/20 0.45
GRM5 P41594 5/20 0.45
PRKAA2 P54646 2/20 0.44
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EPHX2 P34913 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL3242724 0.83 RAB9A (0.65) RAB9AHPGDSMN1; SMN2NAPRTGRM5
SCHEMBL31392086 0.83 RAB9A (0.65) RAB9AHPGDSMN1; SMN2NAPRTGRM5
SCHEMBL423224 0.83 RAB9A (0.65) RAB9AHPGDSMN1; SMN2NAPRTMMP2
SCHEMBL712714 0.82 RAB9A (0.68) RAB9AHPGDSMN1; SMN2NAPRTGRM5
SCHEMBL990908 0.81 GRM5 (0.63) RAB9AHPGDSMN1; SMN2NAPRTGRM5
SCHEMBL20460596 0.81 GRM5 (0.63) RAB9AHPGDSMN1; SMN2NAPRTGRM5
SCHEMBL3765878 0.81 RAB9A (0.64) RAB9AHPGDSMN1; SMN2NAPRTMMP2
SCHEMBL28477730 0.80 RAB9A (0.62) RAB9AHPGDSMN1; SMN2NAPRTMMP2
SCHEMBL3763863 0.79 PROKR1 (0.50) HPGDSMN1; SMN2ALDH1A1
SCHEMBL4736618 0.79 RAB9A (0.58) RAB9AHPGDSMN1; SMN2NAPRTMMP2

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 6 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
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 WO 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 RAB9A 4065/4885HPGD 503/4885SMN1; SMN2 4076/4885

“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.