SCHEMBL2780932

SCHEMBL2780932

OC[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.59
GBA1 P04062 1/20 0.57
CCR5 P51681 2/20 0.53
DPP4 P27487 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
FUCA1 P04066 2/20 0.46
NMT1 P30419 2/20 0.46
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL14921522 1.00 RORC (0.59) RORCGBA1CCR5DPP4SIGMAR1
SCHEMBL2780934 1.00 RORC (0.59) RORCGBA1CCR5DPP4SIGMAR1
SCHEMBL2781601 1.00 RORC (0.59) RORCGBA1CCR5DPP4SIGMAR1
SCHEMBL417494 0.91 GBA1 (0.63) RORCGBA1CCR5FUCA1
SCHEMBL5235973 0.91 GBA1 (0.63) RORCGBA1CCR5FUCA1
SCHEMBL7817708 0.91 GBA1 (0.63) RORCGBA1CCR5FUCA1
SCHEMBL1443542 0.89 RORC (0.56) RORCGBA1CCR5DPP4SIGMAR1
SCHEMBL1439676 0.89 RORC (0.56) RORCGBA1CCR5DPP4SIGMAR1
SCHEMBL1440408 0.89 RORC (0.56) RORCGBA1CCR5DPP4SIGMAR1
SCHEMBL7916193 0.88 CCR5 (0.53) RORCGBA1CCR5SIGMAR1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9630929-B2 Benzenesulfonamide compounds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2017-04-25 US disclosed
EP-2398768-B1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2016-08-24 EP disclosed
EP-2773637-B1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2016-06-08 EP disclosed
US-20140296245-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS, INC. (CA) 2014-10-02 US disclosed
EP-2773637-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2014-09-10 EP disclosed
WO-2013064983-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2013-05-10 WO disclosed
US-8318759-B2 Pyrrolidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-11-27 US disclosed
EP-2398768-A1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-12-28 EP disclosed
WO-2010094667-A1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO disclosed
US-20100210659-A1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-08-19 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 (2 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-20100210659-A1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS OPRL1, OPRK1, OPRD1 RORC 1018/4885GBA1 2541/4885CCR5 1616/4885
US-20140296245-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS TRPV1, TRPA1, TRPV3 RORC 1834/4885GBA1 267/4885CCR5 3502/4885

“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.