SCHEMBL2818780

SCHEMBL2818780

N#Cc1ccccc1N1CCN(C(=O)C2CC(N(Cc3ccccc3)C(=O)OCC(Cl)(Cl)Cl)CN2)CC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
DPP4 P27487 12/20 0.42
GRM5 P41594 1/20 0.38
CHRM4 P08173 1/20 0.36
MC4R P32245 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
SCHEMBL13841902 1.00 HDAC2 (0.42) HDAC2DPP8DPP7DPP4GRM5
SCHEMBL2816976 0.87 DPP4 (0.40) HDAC2DPP4
SCHEMBL13841903 0.85 GRM5 (0.38) DPP4GRM5CHRM4MC4R
SCHEMBL2817262 0.81 HSD11B1 (0.40) DPP4GRM5CHRM4MC4R
SCHEMBL13841898 0.81 HSD11B1 (0.40) DPP4GRM5CHRM4MC4R
SCHEMBL13841909 0.76 MC4R (0.40) DPP4GRM5CHRM4MC4R
SCHEMBL2820823 0.76 MC4R (0.40) DPP4GRM5CHRM4MC4R
SCHEMBL2818753 0.76 DPP4 (0.41) DPP4CHRM4
SCHEMBL13841894 0.72 HDAC2 (0.55) HDAC2DPP8DPP7DPP4GRM5
SCHEMBL2817637 0.72 HDAC2 (0.55) HDAC2DPP8DPP7DPP4GRM5

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 5 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
EP-2155672-A1 PROLINAMIDE DERIVATIVES AS NK3 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-02-24 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
WO-2008148689-A1 PROLINAMIDE DERIVATIVES AS NK3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-12-11 WO 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 HDAC2 1408/4885DPP8 1820/4885DPP7 1592/4885

“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.