SCHEMBL4822241

SCHEMBL4822241

CS(=O)(=O)C1(C(=O)O)CCC1.[LiH]

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.39
FFAR3 O14843 1/20 0.35
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL21598377 0.91 NPSR1 (0.43) NPSR1FFAR3LMNASMN1; SMN2
SCHEMBL3714980 0.87 LMNA (0.41) NPSR1FFAR3LMNASMN1; SMN2
SCHEMBL19537161 0.80 FFAR3 (0.38) NPSR1FFAR3LMNASMN1; SMN2
SCHEMBL21826086 0.77 CYP3A4 (0.38) NPSR1FFAR3LMNASMN1; SMN2
SCHEMBL19537486 0.77 NPSR1 (0.36) NPSR1FFAR3LMNASMN1; SMN2
SCHEMBL21822831 0.76 NPSR1 (0.39) NPSR1
Lithium Ion SCHEMBL4822233 0.74 NPSR1 (0.38) NPSR1
SCHEMBL4892039 0.73 NPSR1 (0.67) NPSR1LMNA
SCHEMBL12503609 0.70 NPSR1 (0.42) NPSR1LMNASMN1; SMN2
SCHEMBL27915505 0.69 NPSR1 (0.34) NPSR1

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
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
EP-1490043-A4 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO INC (US) 2007-05-30 EP disclosed
US-20050239828-A1 Spirocyclic amides as cannabinoid receptor modulators MERCK & CO., INC. (US) 2005-10-27 US disclosed
EP-1490043-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-12-29 EP disclosed
WO-2003082190-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-10-09 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-20050239828-A1 Spirocyclic amides as cannabinoid receptor modulators CNR1, CNR2, MAG NPSR1 23/4885FFAR3 519/4885LMNA 1329/4885

“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.