SCHEMBL2778415

SCHEMBL2778415

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

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.62
MC4R P32245 6/20 0.53
S1PR5 Q9H228 2/20 0.52
S1PR1 P21453 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RECQL P46063 1/20 0.49

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
SCHEMBL3180726 1.00 RORC (0.62) RORCMC4RS1PR5S1PR1CYP1A2
SCHEMBL2226168 1.00 RORC (0.62) RORCMC4RS1PR5S1PR1CYP1A2
SCHEMBL1976054 1.00 RORC (0.62) RORCMC4RS1PR5S1PR1CYP1A2
SCHEMBL8210627 1.00 RORC (0.62) RORCMC4RS1PR5S1PR1CYP1A2
SCHEMBL12303485 0.91 RORC (0.64) RORCS1PR5S1PR1
SCHEMBL1751711 0.91 RORC (0.64) RORCS1PR5S1PR1
SCHEMBL1752470 0.91 RORC (0.64) RORCS1PR5S1PR1
SCHEMBL1752417 0.91 RORC (0.64) RORCS1PR5S1PR1
SCHEMBL8484105 0.91 RORC (0.64) RORCS1PR5S1PR1
SCHEMBL419234 0.91 RORC (0.64) RORCS1PR5S1PR1

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 12 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-8344161-B2 Process for the preparation of pyrollidine-3-carboxylic acids HOFFMANN-LA ROCHE INC. (US) 2013-01-01 US disclosed
US-8344161-B2 Process for the preparation of pyrollidine-3-carboxylic acids HOFFMANN-LA ROCHE INC. (US) 2013-01-01 US disclosed
US-8344161-B2 Process for the preparation of pyrollidine-3-carboxylic acids HOFFMANN-LA ROCHE INC. (US) 2013-01-01 US disclosed
US-8318759-B2 Pyrrolidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-11-27 US disclosed
EP-2398768-A1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-12-28 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
WO-2010069793-A1 PROCESS FOR THE PREPARATION OF PYROLLIDINE-3-CARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-06-24 WO disclosed
US-20100152462-A1 PROCESS FOR THE PREPARATION OF PYROLLIDINE-3-CARBOXYLIC ACIDS HOFFMANN-LA ROCHE, INC. 2010-06-17 US disclosed
US-20100152462-A1 PROCESS FOR THE PREPARATION OF PYROLLIDINE-3-CARBOXYLIC ACIDS HOFFMANN-LA ROCHE, INC. 2010-06-17 US disclosed
US-20100152462-A1 PROCESS FOR THE PREPARATION OF PYROLLIDINE-3-CARBOXYLIC ACIDS HOFFMANN-LA ROCHE, INC. 2010-06-17 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 (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-20100210659-A1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS OPRL1, OPRK1, OPRD1 RORC 1018/4885MC4R 109/4885S1PR5 708/4885
US-20100152462-A1 PROCESS FOR THE PREPARATION OF PYROLLIDINE-3-CARBOXYLIC ACIDS PYCR1, PYGB, PCCA RORC 722/4885MC4R 545/4885S1PR5 1881/4885

“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.