SCHEMBL1975899

SCHEMBL1975899

NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.59
MC4R P32245 7/20 0.52
DPP4 P27487 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RECQL P46063 1/20 0.47
S1PR5 Q9H228 1/20 0.47
F10 P00742 1/20 0.46
PRSS1 P07477 1/20 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
SCHEMBL2226818 1.00 RORC (0.59) RORCMC4RDPP4CYP1A2CYP3A4
SCHEMBL2226168 0.89 RORC (0.62) RORCMC4RCYP1A2CYP3A4CYP2D6
SCHEMBL3180726 0.89 RORC (0.62) RORCMC4RCYP1A2CYP3A4CYP2D6
SCHEMBL8210627 0.89 RORC (0.62) RORCMC4RCYP1A2CYP3A4CYP2D6
SCHEMBL1976054 0.89 RORC (0.62) RORCMC4RCYP1A2CYP3A4CYP2D6
SCHEMBL2778415 0.89 RORC (0.62) RORCMC4RCYP1A2CYP3A4CYP2D6
SCHEMBL3346208 0.88 RORC (0.58) RORCMC4RS1PR5F10PRSS1
SCHEMBL1344658 0.87 RORC (0.59) RORCMC4RS1PR5
SCHEMBL1443765 0.87 RORC (0.59) RORCMC4RS1PR5
SCHEMBL2229912 0.86 RORC (0.53) RORCMC4RDPP4S1PR5F10

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 1097/4885MC4R 194/4885DPP4 999/4885
US-20130184249-A1 PYRROLIDINE DERIVATIVES TACR1, OPRL1, SLC6A3 RORC 1097/4885MC4R 194/4885DPP4 999/4885

“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.