SCHEMBL2818753

SCHEMBL2818753

N#Cc1ccccc1N1CCN(C(=O)C2CC(N(Cc3ccc(F)cc3F)C(=O)OCC(Cl)(Cl)Cl)CN2Cc2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
HTR2A P28223 12/20 0.38
CHRM4 P08173 2/20 0.37
RORC P51449 1/20 0.36
OPRM1 P35372 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
SCHEMBL2821777 0.92 DPP4 (0.39) DPP4HTR2ARORC
SCHEMBL13841903 0.90 GRM5 (0.38) DPP4CHRM4
SCHEMBL2817891 0.87 HTR2A (0.39) DPP4HTR2ARORC
SCHEMBL3638917 0.86 DPP4 (0.44) DPP4CHRM4RORC
SCHEMBL2816976 0.84 DPP4 (0.40) DPP4HTR2ARORC
SCHEMBL13841909 0.84 MC4R (0.40) DPP4CHRM4
SCHEMBL2820823 0.84 MC4R (0.40) DPP4CHRM4
SCHEMBL2820344 0.81 DPP4 (0.41) DPP4RORC
SCHEMBL2819541 0.79 BCHE (0.50) DPP4CHRM4
SCHEMBL3975756 0.79 HRH3 (0.42) DPP4CHRM4

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-2155672-B1 PROLINAMIDE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-10-27 EP disclosed
US-7528136-B2 for the treatment of depression, pain, psychosis, Parkinson's disease, schizophrenia, anxiety and attention deficit hyperactivity disorder (ADHD); 2-{4-[(2S,4S)-1-benzyl-4-(2,4-difluoro-benzylamino)-pyrrolidine-2-carbonyl]-piperazin-1-yl}-benzonitrile HOFFMANN-LA ROCHE INC. (US) 2009-05-05 US disclosed
US-20080306086-A1 PROLINAMIDE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-12-11 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-20080306086-A1 PROLINAMIDE DERIVATIVES AS NK3 ANTAGONISTS SLC6A3, OPRL1, OPRK1 DPP4 1004/4885HTR2A 121/4885CHRM4 1332/4885

“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.