SCHEMBL3030463

SCHEMBL3030463

CN(CC1CN(Cc2ccccc2)CC1c1ccc(F)cc1)c1ncc(C(F)(F)F)cn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.43
CCR5 P51681 5/20 0.39
CHRM2 P08172 6/20 0.38
CHRM1 P11229 6/20 0.38
CHRM3 P20309 3/20 0.37
CHRM5 P08912 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
MC4R P32245 1/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
KCNH2 Q12809 1/20 0.35
EED O75530 1/20 0.35
PDE9A O76083 1/20 0.35

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
SCHEMBL3029963 0.92 RORC (0.43) RORCCCR5CHRM2CHRM1CHRM3
SCHEMBL3029959 0.92 RORC (0.43) RORCCCR5CHRM2CHRM1CHRM3
SCHEMBL3029751 0.89 RORC (0.41) RORCCCR5CHRM2CHRM1CHRM3
SCHEMBL3024721 0.81 MC4R (0.41) RORCCCR5CHRM2CHRM1CHRM3
SCHEMBL3024717 0.81 MC4R (0.41) RORCCCR5CHRM2CHRM1CHRM3
SCHEMBL2778809 0.80 RORC (0.44) RORCCCR5CHRM2CHRM1CHRM3
SCHEMBL3027003 0.77 TACR1 (0.40) RORCCCR5CHRM2CHRM1CHRM3
SCHEMBL3025274 0.77 TACR1 (0.41) RORCCCR5MC4R
SCHEMBL3026998 0.77 TACR1 (0.40) RORCCCR5CHRM2CHRM1CHRM3
SCHEMBL3025273 0.77 TACR1 (0.41) RORCCCR5MC4R

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 1616/4885CHRM2 367/4885

“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.