SCHEMBL3753660

SCHEMBL3753660

NCC(=O)N1CCN(C(=O)c2cc(C(F)(F)F)ccc2F)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.52
MEN1 O00255 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPK8 P45983 2/20 0.48
MAPK10 P53779 2/20 0.48
CYP3A4 P08684 1/20 0.47
DPP4 P27487 1/20 0.47
SLC6A9 P48067 1/20 0.44
SLC6A5 Q9Y345 1/20 0.44
MGLL Q99685 2/20 0.44
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
ALOX5AP P20292 3/20 0.43
FEN1 P39748 3/20 0.43
FKBP1A P62942 1/20 0.42
HDAC8 Q9BY41 1/20 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
SCHEMBL1222370 0.86 KMT2A (0.55) MEN1KMT2AMAPK8MAPK10TSHR
SCHEMBL3759056 0.83 HDAC8 (0.53) CYP3A4DPP4TSHRALDH1A1HDAC8
SCHEMBL3753656 0.83 EPHX2 (0.53) EPHX2MEN1MAPK1KMT2AMAPK8
SCHEMBL3764370 0.79 MEN1 (0.65) EPHX2MEN1KMT2ACYP3A4DPP4
SCHEMBL3764261 0.79 HPGD (0.46) CYP3A4DPP4TSHR
SCHEMBL3753422 0.77 TSHR (0.68) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL16859708 0.77 CXCR3 (0.47) EPHX2KMT2AMGLLALOX5APFEN1
SCHEMBL1222670 0.76 SCD (0.48) EPHX2HDAC8
SCHEMBL1221914 0.76 MAPK8 (0.50) EPHX2MEN1MAPK1KMT2AMAPK8
Hydrochloric Acid SCHEMBL1221321 0.75 SCD (0.48) EPHX2HDAC8

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 EPHX2 974/4885MEN1 4883/4885MAPK1 4118/4885

“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.