SCHEMBL3768274

SCHEMBL3768274

NCC(=O)N1CCN(C(=O)c2cc(O)ccc2Br)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.51
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
KMT2A Q03164 3/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
ERN1 O75460 1/20 0.36
CYP3A4 P08684 1/20 0.36
DPP4 P27487 1/20 0.36

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
SCHEMBL3757924 0.86 ALDH1A1 (0.40) MGLLALDH1A1LMNACA12CA1
SCHEMBL3764229 0.84 HCRTR1 (0.44) ALDH1A1LMNACA12CA1CA2
SCHEMBL1221923 0.84 KMT2A (0.54) ALDH1A1CA12CA1CA2CA7
Hydrochloric Acid SCHEMBL1221532 0.83 KMT2A (0.53) ALDH1A1CA12CA1CA2CA7
SCHEMBL3768269 0.81 MGLL (0.52) MGLLALDH1A1LMNACA12CA1
SCHEMBL3764910 0.81 ALDH1A1 (0.61) MGLLALDH1A1LMNACA12CA1
SCHEMBL3758244 0.80 LMNA (0.49) ALDH1A1LMNACA12CA1CA2
SCHEMBL1222029 0.73 KMT2A (0.48) MGLLKMT2AMEN1HPGDSMN1; SMN2
SCHEMBL3759197 0.73 RAB9A (0.49) MGLLALDH1A1SIGMAR1KMT2AMEN1
SCHEMBL3762963 0.70 CA12 (0.56) MGLLALDH1A1CA12CA1CA2

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 MGLL 155/4885ALDH1A1 969/4885LMNA 2028/4885

“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.