Sugi Predict

Sugi Predict / Compounds / SCHEMBL1202764

SCHEMBL1202764

SCHEMBL1202764

NC1CN(Cc2ccccc2)CC1c1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.67
▸ SIGMAR1 Q99720 1/20 0.51
▸ RORC P51449 3/20 0.51
▸ DRD2 P14416 1/20 0.47
▸ DRD3 P35462 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CCR5 P51681 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ DRD4 P21917 1/20 0.45
▸ FUCA1 P04066 2/20 0.45
▸ BCHE P06276 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ BACE1 P56817 1/20 0.44
▸ KDM1A O60341 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
SCHEMBL1202760 1.00 DPP4 (0.67) DPP4SIGMAR1RORCDRD2DRD3
SCHEMBL1974918 1.00 DPP4 (0.67) DPP4SIGMAR1RORCDRD2DRD3
SCHEMBL15716274 0.91 DPP4 (0.61) DPP4SIGMAR1RORCDRD3CCR5
SCHEMBL13229945 0.91 DPP4 (0.61) DPP4SIGMAR1RORCDRD3CCR5
SCHEMBL18435473 0.91 DPP4 (0.61) DPP4SIGMAR1RORCDRD3CCR5
SCHEMBL1202870 0.91 DPP4 (0.61) DPP4SIGMAR1RORCDRD3CCR5
SCHEMBL1202868 0.91 DPP4 (0.61) DPP4SIGMAR1RORCDRD3CCR5
SCHEMBL23870272 0.88 DPP4 (0.56) DPP4SIGMAR1RORCDRD2DRD3
SCHEMBL5188045 0.87 RORC (0.68) DPP4RORCDRD2DRD3CCR5
SCHEMBL5188052 0.87 RORC (0.68) DPP4RORCDRD2DRD3CCR5

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 27 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
EP-2364295-B1 3-(BENZYLAMINO)-PYRROLIDINE DERIVATIVES AND THEIR USE AS NK-3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2013-02-27 — — EP disclosed
EP-2513084-A1 PYRROLIDINE DERIVATIVES AS NK - 3 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2012-10-24 — — EP disclosed
EP-2513052-A1 PYRROLIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-24 — — EP disclosed
US-20110144081-A1 PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 — — US disclosed
EP-2331500-A1 PYRROLIDINE N-BENZYL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-06-15 — — EP disclosed
US-7893062-B2 Pyrrolidine derivatives as dual NK1/NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2011-02-22 — — US disclosed
EP-2148857-B1 PYRROLIDINE DERIVATIVES AS DUAL NK1/NK3 RECEPTORS ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-28 — — EP disclosed
US-20100168088-A1 PYRROLIDINE DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 — — 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
WO-2010040663-A1 PYRROLIDINE N-BENZYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-04-15 — — WO disclosed
US-20090312327-A1 PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 — — US disclosed
US-20080275021-A1 PYRROLIDINE DERIVATIVES AS DUAL NK1/NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-11-06 — — 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 (7 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 DPP4 999/4885SIGMAR1 158/4885RORC 1097/4885
US-20130203728-A1 PYRROLIDINE COMPOUNDS SLC6A3, OPRL1, OPRK1 DPP4 1604/4885SIGMAR1 174/4885RORC 1442/4885
US-20080275021-A1 PYRROLIDINE DERIVATIVES AS DUAL NK1/NK3 RECEPTOR ANTAGONISTS TAC3, TACR2, TACR1 DPP4 2534/4885SIGMAR1 183/4885RORC 1721/4885
US-20100168088-A1 PYRROLIDINE DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS OPRK1, OPRL1, OPRD1 DPP4 2359/4885SIGMAR1 91/4885RORC 806/4885
US-20100113424-A1 N-BENZYL PYRROLIDINE DERIVATIVES OPRK1, OPRD1, OPRL1 DPP4 2107/4885SIGMAR1 166/4885RORC 730/4885
US-20090312327-A1 PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS TACR2, PRLHR, AVPR2 DPP4 3374/4885SIGMAR1 339/4885RORC 375/4885
US-20130184249-A1 PYRROLIDINE DERIVATIVES TACR1, OPRL1, SLC6A3 DPP4 999/4885SIGMAR1 158/4885RORC 1097/4885

“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.