SCHEMBL21341663

SCHEMBL21341663

COc1cc2[nH]ncc2cc1C(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.61
TRPA1 O75762 8/20 0.53
TRPM8 Q7Z2W7 3/20 0.53
TLR8 Q9NR97 1/20 0.49
MKNK1 Q9BUB5 3/20 0.47
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
CHEK1 O14757 1/20 0.42
PKM P14618 1/20 0.41
TRPV1 Q8NER1 2/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR2A P28223 1/20 0.38

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
SCHEMBL3560175 0.82 AXL (0.73) AXLTRPA1TRPM8TLR8MKNK1
SCHEMBL19522374 0.82 TRPA1 (0.53) AXLTRPA1TRPM8HPGDCHEK1
SCHEMBL20617830 0.77 AXL (0.67) AXLTRPA1TRPM8TLR8MKNK1
SCHEMBL20618760 0.76 TRPA1 (0.50) AXLTRPA1TRPM8CHEK1PKM
SCHEMBL1541999 0.76 AXL (0.65) AXLTRPA1TRPM8TLR8MKNK1
SCHEMBL24358770 0.76 AXL (0.65) AXLTRPA1TRPM8TLR8MKNK1
SCHEMBL30153817 0.76 AXL (0.65) AXLTRPA1TRPM8TLR8MKNK1
SCHEMBL359039 0.76 AXL (0.65) AXLTRPA1TRPM8TLR8MKNK1
SCHEMBL1542113 0.76 AXL (1.00) AXLTRPA1TRPM8TLR8MKNK1
SCHEMBL9917349 0.75 AXL (0.64) AXLTRPA1TRPM8TLR8MKNK1

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-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-02-02 US disclosed
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-09-12 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 (2 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-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA AXL 2844/4885TRPA1 4790/4885TRPM8 4540/4885
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA AXL 2844/4885TRPA1 4790/4885TRPM8 4540/4885

“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.