SCHEMBL4827909

SCHEMBL4827909

O=C(O)C1(c2cccc(Cl)c2)CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 2/20 0.62
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SLC6A4 P31645 3/20 0.51
SLC6A3 Q01959 3/20 0.51
CCR2 P41597 1/20 0.49
SLC6A2 P23975 2/20 0.48
HDAC4 P56524 3/20 0.46
EP300 Q09472 3/20 0.46
CREBBP Q92793 3/20 0.46
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
HSD11B1 P28845 1/20 0.43
MAP4K4 O95819 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 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
SCHEMBL3110960 0.98 AKR1C1 (0.65) AKR1C1MEN1KMT2ASLC6A4SLC6A3
Hydrochloric Acid SCHEMBL28595251 0.97 AKR1C1 (0.62) AKR1C1MEN1KMT2ASLC6A4SLC6A3
SCHEMBL9466663 0.95 AKR1C1 (0.59) AKR1C1MEN1KMT2ASLC6A4SLC6A3
SCHEMBL301985 0.91 MEN1 (0.56) AKR1C1MEN1KMT2ASLC6A4SLC6A3
SCHEMBL29529336 0.85 SLC6A4 (0.54) AKR1C1SLC6A4SLC6A3CCR2SLC6A2
SCHEMBL28872387 0.85 SLC6A4 (0.54) AKR1C1SLC6A4SLC6A3CCR2SLC6A2
SCHEMBL29886254 0.85 SLC6A4 (0.49) AKR1C1MEN1KMT2ASLC6A4SLC6A3
SCHEMBL28595250 0.85 SLC6A4 (0.49) AKR1C1MEN1KMT2ASLC6A4SLC6A3
SCHEMBL1627025 0.84 MEN1 (0.50) AKR1C1MEN1KMT2ACCR2AKR1C3
SCHEMBL11094391 0.84 KCNA3 (0.51) AKR1C1MEN1KMT2ASLC6A4SLC6A3

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 AKR1C1 1581/4885MEN1 238/4885KMT2A 3084/4885

“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.