SCHEMBL4823285

SCHEMBL4823285

CC(OCC1CCC1)C(N)Cc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 4/20 0.41
DPP4 P27487 2/20 0.34
FAP Q12884 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 3/20 0.33
LTA4H P09960 2/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 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
SCHEMBL3520570 0.83 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4DPP4FAP
SCHEMBL3520881 0.81 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4DPP4FAP
SCHEMBL3521403 0.75 PPARG (0.44) DPP4FAPDPP8DPP9DPP7
SCHEMBL3522639 0.72 PPARG (0.42) SLC6A3SLC6A2SLC6A4SMN1; SMN2
SCHEMBL4692957 0.69 SLC6A2 (0.69) SLC6A3SLC6A2SLC6A4
SCHEMBL13416380 0.69 SLC6A2 (0.69) SLC6A3SLC6A2SLC6A4
SCHEMBL29117270 0.66 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1
SCHEMBL29979644 0.66 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1
SCHEMBL3524388 0.66 SLC6A3 (0.53) SLC6A3SLC6A2SLC6A4DPP4FAP
SCHEMBL586783 0.66 SLC6A2 (1.00) SLC6A3SLC6A2SLC6A4

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 2 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
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 SLC6A3 2989/4885SLC6A2 2117/4885SLC6A4 3182/4885

“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.