SCHEMBL10277629

SCHEMBL10277629

CC(C)C(=O)N1CCC(C(=O)N2C[C@@H](N(C)C(=O)Oc3ccc(F)cc3)[C@](C)(c3ccc(Cl)cc3)C2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 20/20 1.00

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
SCHEMBL10276985 0.91 TACR3 (1.00) TACR3
SCHEMBL12500585 0.91 TACR3 (1.00) TACR3
SCHEMBL10277473 0.89 TACR3 (1.00) TACR3
SCHEMBL10277231 0.87 TACR3 (1.00) TACR3
SCHEMBL10277656 0.86 TACR3 (1.00) TACR3
SCHEMBL10277025 0.85 TACR3 (1.00) TACR3
SCHEMBL10277600 0.85 TACR3 (1.00) TACR3
SCHEMBL16239673 0.84 TACR3 (0.73) TACR3
SCHEMBL10277140 0.83 TACR3 (1.00) TACR3
SCHEMBL10277211 0.83 TACR3 (1.00) TACR3

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
EP-2661432-B1 PYRROLIDINE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2014-11-19 EP claimed
US-8618303-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2013-12-31 US claimed
US-20120178761-A1 PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-12 US claimed
EP-2661432-B1 PYRROLIDINE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2014-11-19 EP disclosed
EP-2661432-B1 PYRROLIDINE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2014-11-19 EP disclosed
US-8618303-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2013-12-31 US disclosed
US-20120178761-A1 PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-12 US disclosed
US-20120178761-A1 PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-12 US disclosed
US-20120178761-A1 PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-07-12 US disclosed
WO-2012093109-A1 PYRROLIDINE DERIVATIVES AS NK3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-12 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-20120178761-A1 PYRROLIDINE DERIVATIVES SLC6A3, NPSR1, TACR1 TACR3 25/4885

“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.