SCHEMBL25510487

SCHEMBL25510487

Cc1ccc(C(C)C)c(N2CCCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
MAPK1 P28482 3/20 0.40
TSHR P16473 2/20 0.40
CASP1 P29466 2/20 0.40
MAPT P10636 1/20 0.40
CASP7 P55210 1/20 0.40
GFER P55789 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
NPY5R Q15761 1/20 0.38
OPRK1 P41145 1/20 0.37

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
SCHEMBL20365554 0.85 ALDH1A1 (0.46) HSD17B10ALDH1A1KDM4EHPGDMAPK1
SCHEMBL21725515 0.77 TRPV1 (0.42) HSD17B10ALDH1A1KDM4EHPGDMAPK1
SCHEMBL19665161 0.77 CYP1A2 (0.42) CYP1A2HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL3948488 0.74 CYP1A2 (0.44) CYP1A2HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL15831861 0.73 CNR2 (0.52) CYP1A2HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL14883192 0.73 HCRTR1 (0.36) HSD17B10KDM4EHPGD
SCHEMBL19105595 0.71 MAPK1 (0.37) CYP1A2HSD17B10ALDH1A1KDM4EMAPK1
SCHEMBL10094245 0.71 CYP1A2 (0.49) CYP1A2HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL7459387 0.70 CNR2 (0.47) CYP1A2HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL15831793 0.70 HRH4 (0.61) HSD17B10ALDH1A1KDM4EHPGDRECQL

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 CYP1A2 1443/4885HSD17B10 1616/4885ALDH1A1 1330/4885

“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.