SCHEMBL2823004

SCHEMBL2823004

CNC(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)c3cc(F)ccc3C(F)(F)F)CC2)c1.O=C(Cl)C(=O)N1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EPHX2 P34913 2/20 0.40
HPGDS O60760 1/20 0.39
SCD O00767 2/20 0.39
NPY2R P49146 1/20 0.39
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
SCN9A Q15858 2/20 0.37

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
SCHEMBL2822962 0.96 RAB9A (0.45) RAB9ASMN1; SMN2NPSR1EPHX2HPGDS
SCHEMBL2825405 0.80 HCRTR1 (0.48) EPHX2SCD
SCHEMBL2820646 0.76 SMO (0.49) RAB9ASMN1; SMN2NPSR1HPGDSSCD
SCHEMBL13282316 0.74 RBP4 (0.52) RAB9ASMN1; SMN2NPSR1EPHX2SCD
SCHEMBL2820795 0.73 PDGFRB (0.46) SMN1; SMN2NPSR1HPGDSSCDNPY2R
SCHEMBL13536495 0.72 HCRTR1 (0.47) EPHX2SCDNPY2R
SCHEMBL2821695 0.71 HCRTR1 (0.50) SMN1; SMN2SCD
SCHEMBL2821972 0.71 TRPV1 (0.44) SCD
SCHEMBL2820773 0.69 HCRTR1 (0.48) SMN1; SMN2EPHX2SCD
SCHEMBL2821970 0.68 MGLL (0.58) SCDNPY2R

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RAB9A 4065/4885SMN1; SMN2 4076/4885NPSR1 3073/4885

“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.