SCHEMBL3477003

SCHEMBL3477003

O=C(NCC(=O)N1CCN(C(=O)c2cnccc2C(F)(F)F)CC1)c1cn(-c2ccccc2)nn1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.46
SCD O00767 11/20 0.46
DCTPP1 Q9H773 2/20 0.43
RIPK1 Q13546 1/20 0.41
NAMPT P43490 1/20 0.40
TP53 P04637 1/20 0.40
MDM2 Q00987 1/20 0.40

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
SCHEMBL1222012 0.86 SCD (0.49) SCDDCTPP1RIPK1
SCHEMBL13282172 0.84 SCD (0.46) SCDDCTPP1
SCHEMBL13282224 0.80 SCD (0.49) SCDDCTPP1
SCHEMBL1222464 0.80 RBP4 (0.51) RBP4SCDNAMPTTP53MDM2
SCHEMBL3469839 0.78 DDT (0.51) SCDDCTPP1
SCHEMBL1222319 0.77 SCD (0.49) SCDDCTPP1
SCHEMBL1221193 0.77 SCD (0.54) SCDDCTPP1
SCHEMBL13287208 0.76 SCD (0.48) SCDDCTPP1
SCHEMBL1222087 0.76 SCD (0.53) SCDDCTPP1
SCHEMBL1221168 0.76 SCD (0.52) SCDDCTPP1

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
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

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 RBP4 1513/4885SCD 1/4885DCTPP1 481/4885

“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.