SCHEMBL937537

SCHEMBL937537

O=C(NCCCc1ccc(F)cc1)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1

nearest known ligand 0.89

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCD O00767 14/20 0.89
DCTPP1 Q9H773 2/20 0.79

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
SCHEMBL936544 0.95 SCD (0.88) SCDDCTPP1
SCHEMBL1377949 0.94 SCD (1.00) SCDDCTPP1
SCHEMBL937531 0.89 SCD (1.00) SCDDCTPP1
SCHEMBL1376607 0.88 SCD (0.86) SCDDCTPP1
SCHEMBL1600619 0.87 SCD (0.68) SCDDCTPP1
SCHEMBL1377165 0.87 SCD (0.90) SCDDCTPP1
SCHEMBL938244 0.87 SCD (0.87) SCDDCTPP1
SCHEMBL938774 0.87 SCD (0.67) SCDDCTPP1
SCHEMBL1376810 0.86 SCD (1.00) SCDDCTPP1
SCHEMBL2470074 0.86 SCD (0.66) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4808616-B2 2011-11-02 JP claimed
EP-1648874-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-10-05 EP claimed
EP-1846035-B1 COMBINATION THERAPY XENON PHARMACEUTICALS INC (CA) 2011-09-21 EP claimed
EP-1648874-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-10-05 EP disclosed
EP-1846035-B1 COMBINATION THERAPY XENON PHARMACEUTICALS INC (CA) 2011-09-21 EP disclosed
US-7964591-B2 Pyridazine derivatives and their use as therapeutic agents NOVARTIS PHARMA AG (CH) 2011-06-21 US disclosed
EP-2316827-A1 Piperazine derivatives and their use as therapeutic agents Xenon Pharmaceuticals Inc. (CA) 2011-05-04 EP disclosed
US-7919484-B2 Combination therapy XENON PHARMACEUTICALS INC. (CA) 2011-04-05 US disclosed
US-20110021530-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS IN THE TREATMENT OF SKIN DISORDERS XENON PHARMACEUTICALS INC. (CA) 2011-01-27 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-20110021530-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS IN THE TREATMENT OF SKIN DISORDERS PRXL2A, CUTA, MC1R SCD 52/4885DCTPP1 2739/4885

“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.