Sugi Predict

Sugi Predict / Compounds / SCHEMBL2817864

SCHEMBL2817864

SCHEMBL2817864

N#Cc1ccccc1N1CCN(C(=O)[C@@H]2C[C@H](NC(=O)c3ccccc3Cl)CN2Cc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.42
▸ DRD2 P14416 3/20 0.42
▸ DRD4 P21917 3/20 0.42
▸ GFER P55789 1/20 0.41
▸ MC4R P32245 1/20 0.41
▸ DRD3 P35462 2/20 0.40
▸ GRM5 P41594 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ SLC6A12 P48065 1/20 0.38

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
SCHEMBL2846181 1.00 CHRM4 (0.43) CHRM4NPSR1DRD2DRD4GFER
SCHEMBL3641465 0.92 CHRM4 (0.43) CHRM4DRD2DRD4MC4RDRD3
SCHEMBL2820501 0.92 CHRM4 (0.43) CHRM4DRD2DRD4MC4RDRD3
SCHEMBL13841887 0.90 DRD2 (0.50) CHRM4DRD2DRD4MC4RDRD3
SCHEMBL13841917 0.90 DRD2 (0.50) CHRM4DRD2DRD4MC4RDRD3
SCHEMBL3635269 0.89 THRB (0.45) DRD2DRD4MAPTSLC6A12
SCHEMBL2818193 0.89 THRB (0.45) DRD2DRD4MAPTSLC6A12
SCHEMBL3637803 0.89 CHRM4 (0.42) CHRM4DRD2DRD4MC4RGRM5
SCHEMBL2817206 0.89 CHRM4 (0.42) CHRM4DRD2DRD4MC4RGRM5
SCHEMBL3637469 0.88 DRD2 (0.44) CHRM4DRD2DRD4MC4RDRD3

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 6 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 claimed
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 claimed
US-20080306086-A1 PROLINAMIDE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-12-11 — — US claimed
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 CHRM4 1332/4885NPSR1 7/4885DRD2 36/4885

“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.