SCHEMBL3753419

SCHEMBL3753419

NC(=O)C(=O)N1CCN(C(=O)c2ccccc2F)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.65
HTT P42858 4/20 0.63
ALDH1A1 P00352 3/20 0.60
KDM4E B2RXH2 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
TP53 P04637 1/20 0.60
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
LMNA P02545 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
POLB P06746 1/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
USP2 O75604 1/20 0.53
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL11715149 0.88 TSHR (0.80) TSHRHTTALDH1A1KDM4EL3MBTL1
SCHEMBL22305400 0.88 TSHR (0.80) TSHRHTTALDH1A1KDM4EL3MBTL1
SCHEMBL3762957 0.82 CA12 (0.57) TSHRHTTALDH1A1L3MBTL1CA12
SCHEMBL3757672 0.82 LMNA (0.67) TSHRHTTALDH1A1KDM4ELMNA
SCHEMBL3759196 0.82 MEN1 (0.49) TSHRHTTALDH1A1KDM4EL3MBTL1
SCHEMBL27748956 0.81 HTT (0.73) TSHRHTTALDH1A1KDM4EL3MBTL1
SCHEMBL3759053 0.81 HDAC8 (0.51) TSHRALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL25432112 0.81 TSHR (0.70) TSHRHTTALDH1A1KDM4EL3MBTL1
SCHEMBL10396663 0.81 HPGD (0.74) TSHRHTTALDH1A1KDM4EL3MBTL1
SCHEMBL3762762 0.81 RAB9A (0.65) HTTALDH1A1KDM4ECA12CA1

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 TSHR 4601/4885HTT 3358/4885ALDH1A1 969/4885

“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.