SCHEMBL1975601

SCHEMBL1975601

NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.53
F10 P00742 4/20 0.48
PRSS1 P07477 2/20 0.48
S1PR5 Q9H228 3/20 0.46
S1PR1 P21453 2/20 0.46
SIGMAR1 Q99720 5/20 0.45
HTR2A P28223 1/20 0.45
KCNH2 Q12809 1/20 0.45
DPP4 P27487 1/20 0.44
SLC6A3 Q01959 2/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
MC4R P32245 1/20 0.42

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
SCHEMBL2229912 1.00 RORC (0.53) RORCF10PRSS1S1PR5S1PR1
SCHEMBL1713482 0.90 RORC (0.55) RORCF10S1PR5S1PR1SIGMAR1
SCHEMBL4162044 0.90 RORC (0.55) RORCF10S1PR5S1PR1SIGMAR1
SCHEMBL2782848 0.90 RORC (0.55) RORCF10S1PR5S1PR1SIGMAR1
SCHEMBL1975861 0.90 RORC (0.55) RORCF10S1PR5S1PR1SIGMAR1
SCHEMBL1344798 0.88 RORC (0.53) RORCF10PRSS1S1PR5S1PR1
SCHEMBL1345133 0.88 RORC (0.53) RORCF10PRSS1S1PR5S1PR1
SCHEMBL1975899 0.86 RORC (0.59) RORCF10PRSS1S1PR5DPP4
SCHEMBL2226818 0.86 RORC (0.59) RORCF10PRSS1S1PR5DPP4
SCHEMBL1713887 0.86 RORC (0.51) RORCS1PR5S1PR1SIGMAR1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9226916-B2 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. (US) 2016-01-05 US disclosed
EP-2513052-B1 PYRROLIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-06-04 EP disclosed
US-20130184249-A1 PYRROLIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2013-07-18 US disclosed
EP-2513052-A1 PYRROLIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
WO-2011085886-A1 PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 WO disclosed
US-20110144081-A1 PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 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 (2 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 RORC 1097/4885F10 3476/4885PRSS1 2018/4885
US-20130184249-A1 PYRROLIDINE DERIVATIVES TACR1, OPRL1, SLC6A3 RORC 1097/4885F10 3476/4885PRSS1 2018/4885

“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.