Sugi Predict

Sugi Predict / Compounds / SCHEMBL1421756

SCHEMBL1421756

SCHEMBL1421756

NCC1CN(Cc2ccccc2)CC1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 3/20 0.52
▸ CCR5 P51681 5/20 0.49
▸ SIGMAR1 Q99720 1/20 0.48
▸ DPP4 P27487 1/20 0.47
▸ GBA1 P04062 1/20 0.41
▸ S1PR1 P21453 1/20 0.40
▸ S1PR5 Q9H228 1/20 0.40
▸ FUCA1 P04066 2/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39

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
SCHEMBL1976030 1.00 RORC (0.52) RORCCCR5SIGMAR1DPP4GBA1
SCHEMBL13198817 1.00 RORC (0.52) RORCCCR5SIGMAR1DPP4GBA1
SCHEMBL1421644 1.00 RORC (0.52) RORCCCR5SIGMAR1DPP4GBA1
SCHEMBL7878252 1.00 RORC (0.52) RORCCCR5SIGMAR1DPP4GBA1
SCHEMBL1974849 1.00 RORC (0.52) RORCCCR5SIGMAR1DPP4GBA1
SCHEMBL4203694 0.90 RORC (0.50) RORCCCR5SIGMAR1DPP4GBA1
SCHEMBL1937578 0.89 RORC (0.49) RORCCCR5SIGMAR1DPP4GBA1
SCHEMBL1974964 0.89 RORC (0.49) RORCCCR5SIGMAR1DPP4GBA1
SCHEMBL1977454 0.89 CCR5 (0.51) RORCCCR5SIGMAR1DPP4GBA1
SCHEMBL2226952 0.89 CCR5 (0.51) RORCCCR5SIGMAR1DPP4GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2398768-B1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2016-08-24 — — EP 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
US-8318759-B2 Pyrrolidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-11-27 — — US disclosed
US-8293770-B2 Pyrrolidine derivatives as NK-3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-10-23 — — US disclosed
US-20120208803-A1 PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS BISSANTZ CATERINA (FR) 2012-08-16 — — US disclosed
EP-2398768-A1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-12-28 — — EP disclosed
US-8022099-B2 N-benzyl pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2011-09-20 — — US disclosed
EP-2364295-A1 3-(BENZYLAMINO)-PYRROLIDINE DERIVATIVES AND THEIR USE AS NK-3 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-09-14 — — EP disclosed
EP-2331500-A1 PYRROLIDINE N-BENZYL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-06-15 — — EP disclosed
EP-2297098-A1 PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-03-23 — — 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
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
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

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-20100168088-A1 PYRROLIDINE DERIVATIVES AS NK-3 RECEPTOR ANTAGONISTS OPRK1, OPRL1, OPRD1 RORC 806/4885CCR5 934/4885SIGMAR1 91/4885
US-20100210659-A1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS OPRL1, OPRK1, OPRD1 RORC 1018/4885CCR5 1616/4885SIGMAR1 219/4885
US-20100113424-A1 N-BENZYL PYRROLIDINE DERIVATIVES OPRK1, OPRD1, OPRL1 RORC 730/4885CCR5 1534/4885SIGMAR1 166/4885
US-20090312327-A1 PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS TACR2, PRLHR, AVPR2 RORC 375/4885CCR5 1241/4885SIGMAR1 339/4885
US-20120208803-A1 PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS TACR2, PRLHR, AVPR2 RORC 375/4885CCR5 1241/4885SIGMAR1 339/4885

“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.