SCHEMBL2821972

SCHEMBL2821972

O=C(Nc1ccccc1-c1ccccc1)C(=O)N1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.44
SMO Q99835 2/20 0.44
NTRK1 P04629 1/20 0.42
ALDH1A1 P00352 4/20 0.41
SCD O00767 1/20 0.41
TACR1 P25103 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 3/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39

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
SCHEMBL2820646 0.86 SMO (0.49) TRPV1SMOSCD
SCHEMBL2820795 0.79 PDGFRB (0.46) TRPV1SMOSCD
SCHEMBL2821695 0.79 HCRTR1 (0.50) SMOSCDHCRTR1HCRTR2
SCHEMBL2820773 0.74 HCRTR1 (0.48) SCDHCRTR1HCRTR2
SCHEMBL2825405 0.74 HCRTR1 (0.48) SCDHCRTR1HCRTR2
SCHEMBL223162 0.74 SMO (0.48) TRPV1SMOALDH1A1SCDLMNA
SCHEMBL2822962 0.74 RAB9A (0.45) SCD
SCHEMBL28765880 0.72 HCRTR1 (0.43) ALDH1A1SCDHCRTR1HCRTR2
SCHEMBL2823131 0.72 RBP4 (0.56) ALDH1A1SCDHPGDMAPT
SCHEMBL1222426 0.71 SCD (0.48) SMOSCD

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
WO-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 WO disclosed
WO-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 WO disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 US disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 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-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 TRPV1 1870/4885SMO 1071/4885NTRK1 4599/4885

“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.