SCHEMBL25510522

SCHEMBL25510522

Cc1ccc(C(C)C)c(OCC2CCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.40
CCNA2 P20248 7/20 0.39
CDK2 P24941 7/20 0.39
CDK1 P06493 5/20 0.39
CCNB1 P14635 5/20 0.39
CCNA1 P78396 4/20 0.38
CCNB2 O95067 2/20 0.38
CCNB3 Q8WWL7 2/20 0.38
MCHR1 Q99705 3/20 0.38
DHFR P00374 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
CNR2 P34972 1/20 0.35
FFAR2 O15552 1/20 0.35

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
SCHEMBL23960764 0.79 CNR2 (0.39) CCNA2CDK2CDK1CCNB1CCNA1
SCHEMBL15831918 0.77 XDH (0.43) CCNA2CDK2CCNA1MCHR1
SCHEMBL15831968 0.77 NOS3 (0.47) CCNA2CDK2CDK1CCNB1CCNA1
SCHEMBL17815699 0.76 MCHR1 (0.43) CCNA2CDK2CDK1CCNB1CCNA1
SCHEMBL24498716 0.75 CNR1 (0.40) CCNA2CDK2CDK1CCNB1CCNA1
SCHEMBL15831924 0.73 XDH (0.46) CCNA2CDK2CDK1CCNB1CCNA1
SCHEMBL15831955 0.73 NOS3 (0.45) CCNA2CDK2CDK1CCNB1CCNA1
SCHEMBL15679335 0.72 NOS3 (0.44) CCNA2CDK2CDK1CCNB1CCNA1
SCHEMBL15831928 0.72 XDH (0.47) CCNA2CDK2CDK1CCNB1CCNA1
SCHEMBL23960763 0.72 CNR2 (0.37) TRPV1CNR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230147428-A1 BENZIMIDAZOLONE-BASED CINNAMAMIDE DERIVATIVE AS TRPV1 ANTAGONIST AND PHARMACEUTICAL COMPOSITION FOR TREATMENT OR PREVENTION OF PAIN CONTAINING SAME AS ACTIVE INGREDIENT JMACKEM CO., LTD (KR) 2023-05-11 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-20230147428-A1 BENZIMIDAZOLONE-BASED CINNAMAMIDE DERIVATIVE AS TRPV1 ANTAGONIST AND PHARMACEUTICAL COMPOSITION FOR TREATMENT OR PREVENTION OF PAIN CONTAINING SAME AS ACTIVE INGREDIENT TRPV1, TRPA1, TRPV5 TRPV1 1/4885CCNA2 4338/4885CDK2 1141/4885

“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.