SCHEMBL3469839

SCHEMBL3469839

Cc1cccc(-n2cc(C(=O)NCC(=O)N3CCN(C(=O)c4cc(F)ccc4C(F)(F)F)CC3)nn2)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DDT P30046 3/20 0.51
SCD O00767 10/20 0.48
P2RY12 Q9H244 1/20 0.42
GPR119 Q8TDV5 1/20 0.41
ESRRA P11474 1/20 0.41
DCTPP1 Q9H773 1/20 0.39
KMT2A Q03164 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
SCHEMBL13282224 0.94 SCD (0.49) DDTSCDGPR119DCTPP1
SCHEMBL1222012 0.91 SCD (0.49) DDTSCDDCTPP1
SCHEMBL13282307 0.89 SCD (0.46) DDTSCDP2RY12GPR119ESRRA
SCHEMBL13282172 0.87 SCD (0.46) DDTSCDGPR119DCTPP1
SCHEMBL13282391 0.86 SCD (0.47) SCDDCTPP1
SCHEMBL13287208 0.85 SCD (0.48) SCDDCTPP1
SCHEMBL13282207 0.84 SCD (0.48) SCDDCTPP1
SCHEMBL13287226 0.84 SCD (0.47) SCDDCTPP1KMT2A
SCHEMBL1222319 0.83 SCD (0.49) SCDDCTPP1KMT2A
SCHEMBL13282392 0.82 DDT (0.49) DDTP2RY12ESRRAKMT2A

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 DDT 1816/4885SCD 1/4885P2RY12 3835/4885

“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.