SCHEMBL25510508

SCHEMBL25510508

Cc1ccc(C(C)C)c(OCC2CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.39
CNR2 P34972 12/20 0.39
TRPV1 Q8NER1 1/20 0.38
RXRA P19793 1/20 0.38
CNR1 P21554 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 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 0.84 CNR2 (0.39) DHFRCNR2RXRACNR1CDK1
SCHEMBL24153560 0.78 LRRK2 (0.40)
SCHEMBL23960763 0.77 CNR2 (0.37) CNR2TRPV1CNR1
SCHEMBL23960768 0.76 CNR2 (0.39) CNR2CNR1
SCHEMBL15831967 0.75 NOS3 (0.44) CNR2HRH3CDK1CCNB1CCNA2
SCHEMBL15831919 0.75 XDH (0.45) CNR2CNR1
SCHEMBL8234881 0.73 TSHR (0.37)
SCHEMBL23565849 0.72 KDM4E (0.39) HRH3
SCHEMBL8737283 0.72 LPAR1 (0.40)
SCHEMBL16491620 0.71 S1PR4 (0.47) CNR2

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 DHFR 3961/4885CNR2 22/4885TRPV1 1/4885

“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.