SCHEMBL1975015

SCHEMBL1975015

CN[C@H]1CN(C(=O)C2CCN(C(=O)C3(C)CC3)CC2)C[C@@H]1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 10/20 0.58
TACR2 P21452 11/20 0.47
TACR1 P25103 11/20 0.47
TAC3 Q9UHF0 5/20 0.46

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
SCHEMBL1422018 1.00 TACR3 (0.58) TACR3TACR2TACR1TAC3
SCHEMBL1975359 1.00 TACR3 (0.58) TACR3TACR2TACR1TAC3
SCHEMBL1422099 1.00 TACR3 (0.58) TACR3TACR2TACR1TAC3
SCHEMBL1977166 1.00 TACR3 (0.58) TACR3TACR2TACR1TAC3
SCHEMBL1975470 0.93 TACR3 (0.51) TACR3TACR2TACR1TAC3
SCHEMBL1975593 0.92 TACR3 (0.51) TACR3TACR2TACR1TAC3
SCHEMBL15154293 0.90 TACR3 (0.57) TACR3TACR2TACR1TAC3
SCHEMBL1986182 0.90 TACR3 (0.57) TACR3TACR2TACR1TAC3
SCHEMBL1990280 0.90 TACR3 (0.60) TACR3TACR2TACR1TAC3
SCHEMBL15751739 0.90 TACR3 (0.57) TACR3TACR2TACR1TAC3

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346786-B2 Pyrrolidine compounds HOFFMANN-LA ROCHE INC. (US) 2016-05-24 US disclosed
US-9226916-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2016-01-05 US disclosed
EP-2513084-B1 PYRROLIDINE DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2015-07-22 EP disclosed
EP-2513052-B1 PYRROLIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-06-04 EP disclosed
US-20130203728-A1 PYRROLIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2013-08-08 US disclosed
US-20130184249-A1 PYRROLIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-07-18 US disclosed
US-8404679-B2 Pyrrolidine derivatives as NK2 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
US-8404679-B2 Pyrrolidine derivatives as NK2 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
US-8404679-B2 Pyrrolidine derivatives as NK2 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
EP-2364295-B1 3-(BENZYLAMINO)-PYRROLIDINE DERIVATIVES AND THEIR USE AS NK-3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2013-02-27 EP disclosed
WO-2011073160-A1 PYRROLIDINE DERIVATIVES AS NK - 3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO disclosed
US-20110144081-A1 PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 US disclosed
WO-2010060703-A1 3-(BENZYLAMINO)-PYRROLIDINE DERIVATIVES AND THEIR USE AS NK-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-06-03 WO disclosed
US-20100113424-A1 N-BENZYL PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-05-06 US disclosed
US-20100113424-A1 N-BENZYL PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-05-06 US disclosed
WO-2009153179-A1 PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO disclosed
WO-2009153179-A1 PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO disclosed
US-20090312327-A1 PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 US disclosed
US-20090312327-A1 PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 US disclosed
US-20090312327-A1 PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 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 (5 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-20110144081-A1 PYRROLIDINE DERIVATIVES TACR1, OPRL1, SLC6A3 TACR3 14/4885TACR2 10/4885TACR1 1/4885
US-20130203728-A1 PYRROLIDINE COMPOUNDS SLC6A3, OPRL1, OPRK1 TACR3 26/4885TACR2 10/4885TACR1 8/4885
US-20100113424-A1 N-BENZYL PYRROLIDINE DERIVATIVES OPRK1, OPRD1, OPRL1 TACR3 22/4885TACR2 12/4885TACR1 7/4885
US-20090312327-A1 PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS TACR2, PRLHR, AVPR2 TACR3 147/4885TACR2 1/4885TACR1 15/4885
US-20130184249-A1 PYRROLIDINE DERIVATIVES TACR1, OPRL1, SLC6A3 TACR3 14/4885TACR2 10/4885TACR1 1/4885

“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.