SCHEMBL2999488

SCHEMBL2999488

COCNC(=O)[C@@H]1CCN(Cc2ccccc2)C[C@@H]1c1ccc(Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.47
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL3014716 1.00 MC4R (0.47) MC4RDRD2DRD4SIGMAR1
SCHEMBL3002451 1.00 MC4R (0.47) MC4RDRD2DRD4SIGMAR1
SCHEMBL2998958 0.88 SIGMAR1 (0.46) MC4RSIGMAR1
SCHEMBL3709726 0.88 SIGMAR1 (0.46) MC4RSIGMAR1
SCHEMBL3115936 0.86 DRD2 (0.50) DRD2DRD4SIGMAR1
SCHEMBL7914327 0.86 DRD2 (0.50) DRD2DRD4SIGMAR1
SCHEMBL7915812 0.86 DRD2 (0.50) DRD2DRD4SIGMAR1
SCHEMBL3007605 0.82 DRD2 (0.50) MC4RDRD2DRD4SIGMAR1
SCHEMBL3007601 0.82 DRD2 (0.50) MC4RDRD2DRD4SIGMAR1
SCHEMBL3013898 0.82 DRD2 (0.50) MC4RDRD2DRD4SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2391615-B1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2013-01-16 EP disclosed
US-8324248-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 US disclosed
EP-2391615-A1 Piperidine derivatives as nk3 receptor antagonists F. Hoffmann-La Roche AG (CH) 2011-12-07 EP disclosed
US-20100197697-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-05 US disclosed
WO-2010086259-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-05 WO 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-20100197697-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS OPRK1, OPRM1, OPRL1 MC4R 372/4885DRD2 9/4885DRD4 31/4885

“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.