SCHEMBL3762963

SCHEMBL3762963

NCC(=O)N1CCN(C(=O)c2ccccc2N)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
HSD11B1 P28845 1/20 0.49
MGLL Q99685 1/20 0.49
SIGMAR1 Q99720 1/20 0.48
RAB9A P51151 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 1/20 0.47
TSHR P16473 3/20 0.46
ALDH1A1 P00352 2/20 0.46
USP2 O75604 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTT P42858 2/20 0.45
BLM P54132 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL10663590 0.88 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL3759197 0.84 RAB9A (0.49) MGLLSIGMAR1RAB9ANPC1TSHR
SCHEMBL3757745 0.83 HTT (0.69) HSD11B1MGLLTSHRALDH1A1USP2
SCHEMBL3764910 0.83 ALDH1A1 (0.61) CA12CA1CA2CA7CA9
SCHEMBL3762764 0.83 RAB9A (0.68) CA12CA1CA2CA7CA9
SCHEMBL3760554 0.83 TSHR (0.49) SIGMAR1RAB9AL3MBTL1TSHRALDH1A1
SCHEMBL3753422 0.83 TSHR (0.68) CA12CA1CA2CA7CA9
SCHEMBL1578279 0.81 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL2033421 0.80 L3MBTL1 (0.64) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL12481298 0.80 CA12 (0.57) CA12CA1CA2CA7CA9

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
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

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 CA12 4790/4885CA1 4566/4885CA2 3293/4885

“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.