SCHEMBL3029690

SCHEMBL3029690

NC(CC1CN(Cc2ccccc2)CC1c1ccc(Cl)cc1)c1ccc(Cl)cn1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.46
CCR5 P51681 2/20 0.42
DPP4 P27487 1/20 0.40
GRIN2B Q13224 1/20 0.40
MC4R P32245 6/20 0.39
SIGMAR1 Q99720 1/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL3024071 0.91 DPP4 (0.41) RORCCCR5DPP4GRIN2BMC4R
SCHEMBL1935588 0.76 RORC (0.59) RORCCCR5DPP4SIGMAR1DRD2
SCHEMBL1975960 0.76 RORC (0.59) RORCCCR5DPP4SIGMAR1DRD2
SCHEMBL1203067 0.76 RORC (0.59) RORCCCR5DPP4SIGMAR1DRD2
SCHEMBL3029768 0.76 RORC (0.48) RORCCCR5DPP4MC4RSIGMAR1
SCHEMBL3647134 0.75 RORC (0.47) RORCCCR5DPP4SIGMAR1DRD2
SCHEMBL3029692 0.74 RORC (0.46) RORCCCR5DPP4MC4RSIGMAR1
SCHEMBL3029693 0.74 RORC (0.46) RORCCCR5DPP4MC4RSIGMAR1
SCHEMBL14921522 0.74 RORC (0.59) RORCCCR5DPP4SIGMAR1DRD2
SCHEMBL2780932 0.74 RORC (0.59) RORCCCR5DPP4SIGMAR1DRD2

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 3 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-8318759-B2 Pyrrolidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-11-27 US disclosed
US-20100210659-A1 PYRROLIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-08-19 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 (1 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 1018/4885CCR5 1616/4885DPP4 2255/4885

“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.