SCHEMBL3025781

SCHEMBL3025781

FC(F)(F)c1ccc(NCC2CN(Cc3ccccc3)CC2c2ccc(Cl)cc2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MC4R P32245 2/20 0.41
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40
CCR5 P51681 2/20 0.39
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CNR2 P34972 1/20 0.38
ACHE P22303 2/20 0.37
BCHE P06276 1/20 0.37
BACE1 P56817 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPY5R Q15761 1/20 0.37
PRCP P42785 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM4 P08173 1/20 0.37

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
SCHEMBL3019414 0.90 TACR1 (0.39) RORCNPC1RAB9AHIF1AEPAS1
SCHEMBL3029768 0.89 RORC (0.48) RORCMC4RCCR5MAOAMAOB
SCHEMBL3019489 0.83 RORC (0.43) RORCMC4RCCR5KDM1ACNR2
SCHEMBL3025622 0.80 ALDH1A1 (0.43) RORCCCR5MAOAMAOBCNR2
SCHEMBL2778809 0.80 RORC (0.44) RORCCCR5ACHEBCHEBACE1
SCHEMBL3024717 0.79 MC4R (0.41) RORCMC4RCCR5KDM1AMAOA
SCHEMBL3024721 0.79 MC4R (0.41) RORCMC4RCCR5KDM1AMAOA
SCHEMBL3032336 0.78 TACR1 (0.40) RORCCCR5CHRM2CHRM1CHRM4
SCHEMBL3032339 0.78 TACR1 (0.40) RORCCCR5CHRM2CHRM1CHRM4
SCHEMBL3029963 0.77 RORC (0.43) RORCMC4RCCR5CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1018/4885NPC1 1852/4885RAB9A 618/4885

“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.