SCHEMBL4826316

SCHEMBL4826316

CC(NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(Cc1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
CNR1 P21554 10/20 0.50
CNR2 P34972 6/20 0.50
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
FDFT1 P37268 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL14064681 1.00 ALDH1A1 (0.54) ALDH1A1CNR1CNR2NPC1LMNA
SCHEMBL3848743 0.84 ALDH1A1 (0.58) ALDH1A1NPC1LMNANPSR1KMT2A
SCHEMBL3848741 0.84 ALDH1A1 (0.58) ALDH1A1NPC1LMNANPSR1KMT2A
SCHEMBL6364616 0.84 CNR1 (0.48) CNR1CNR2FDFT1
SCHEMBL18577421 0.83 ALDH1A1 (0.55) ALDH1A1NPC1LMNANPSR1KMT2A
SCHEMBL18609373 0.83 ALDH1A1 (0.55) ALDH1A1NPC1LMNANPSR1KMT2A
SCHEMBL18577419 0.83 ALDH1A1 (0.55) ALDH1A1NPC1LMNANPSR1KMT2A
SCHEMBL18577417 0.83 ALDH1A1 (0.55) ALDH1A1NPC1LMNANPSR1KMT2A
SCHEMBL14064724 0.82 CNR1 (0.57) CNR1CNR2
SCHEMBL14064690 0.81 CNR1 (0.50) ALDH1A1CNR1CNR2NPC1KMT2A

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 ALDH1A1 2505/4885CNR1 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.