SCHEMBL4825565

SCHEMBL4825565

CC(NC(=O)C1CCCN(c2ccccn2)C1)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 8/20 0.64
CNR1 P21554 8/20 0.49
CNR2 P34972 6/20 0.49
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
ALK Q9UM73 1/20 0.44

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
SCHEMBL14064679 1.00 GPBAR1 (0.64) GPBAR1CNR1CNR2ALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL4825612 0.95 GPBAR1 (0.58) GPBAR1CNR1CNR2ALDH1A1KDM4E
SCHEMBL4825617 0.75 CNR1 (0.51) CNR1CNR2HPGD
SCHEMBL14064677 0.75 CNR1 (0.51) CNR1CNR2HPGD
SCHEMBL3594447 0.74 CNR1 (0.50) CNR1CNR2HPGD
SCHEMBL4825560 0.74 CNR1 (0.50) CNR1CNR2HPGD
SCHEMBL3517183 0.74 GAA (0.46) CNR1CNR2HPGD
SCHEMBL610192 0.74 TSHR (0.49) GPBAR1CNR1TSHR
SCHEMBL4823367 0.74 CNR1 (0.53) CNR1CNR2HPGD
SCHEMBL5201139 0.74 CNR1 (0.53) CNR1CNR2HPGD

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
US-20050239828-A1 Spirocyclic amides as cannabinoid receptor modulators MERCK & CO., INC. (US) 2005-10-27 US claimed
US-7423067-B2 N-(3,4-diphenyl-2-butyl)cyclopentancarboxamide derivatives such as N-(2,3-bis(4-chlorophenyl)-1-methylpropyl)-3-benzoyl-cyclopentane-carboxamide; used for treating conditions including psychological disorders, eating disorders and substance abuse MERCK & CO., INC. (US) 2008-09-09 US disclosed
US-20050239828-A1 Spirocyclic amides as cannabinoid receptor modulators MERCK & CO., INC. (US) 2005-10-27 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-20050239828-A1 Spirocyclic amides as cannabinoid receptor modulators CNR1, CNR2, MAG GPBAR1 25/4885CNR1 1/4885CNR2 2/4885

“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.