SCHEMBL20554114

SCHEMBL20554114

C=CC(=O)NC1CCOc2cc(Oc3ccc(Cl)c(C(F)(F)F)c3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.41
P2RX7 Q99572 3/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.39
HSD17B2 P37059 1/20 0.39
RAF1 P04049 2/20 0.38
TEAD1 P28347 1/20 0.38
BRAF P15056 1/20 0.38
KDR P35968 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
SCHEMBL30132568 1.00 TRPV1 (0.41) TRPV1P2RX7PTGDR2HSD17B2RAF1
SCHEMBL20554268 0.87 PTGDR2 (0.40) TRPV1P2RX7PTGDR2
SCHEMBL30132578 0.86 TEAD1 (0.49) TRPV1P2RX7PTGDR2TEAD1
SCHEMBL20554343 0.86 TEAD1 (0.49) TRPV1P2RX7PTGDR2TEAD1
SCHEMBL24089097 0.85 TRPV1 (0.44) TRPV1P2RX7PTGDR2TEAD1
SCHEMBL30132478 0.85 PTGDR2 (0.48) TRPV1PTGDR2
SCHEMBL20554371 0.85 PTGDR2 (0.48) TRPV1PTGDR2
SCHEMBL30132684 0.85 FAAH (0.44) TRPV1P2RX7HSD17B2
SCHEMBL20608858 0.85 FAAH (0.44) TRPV1P2RX7HSD17B2
SCHEMBL20554211 0.84 TRPV1 (0.51) TRPV1P2RX7HSD17B2TEAD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110770211-B Alpha, beta unsaturated amide compound 协和麒麟株式会社 2023-09-19 CN disclosed
CN-108430972-B Alpha, beta-unsaturated amide compound 协和麒麟株式会社 2022-12-27 CN disclosed
US-11447471-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2022-09-20 US disclosed
US-11332455-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2022-05-17 US disclosed
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND KYOWA KIRIN CO., LTD. (JP) 2021-12-09 US disclosed
US-20210155612-A1 Alpha,Beta-UNSATURATED AMIDE COMPOUND KYOWA KIRIN CO., LTD. (JP) 2021-05-27 US disclosed
US-10787428-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2020-09-29 US disclosed
EP-3712129-A1 ALPHA, BETA-UNSATURATED AMIDE COMPOUND Kyowa Kirin Co., Ltd. (JP) 2020-09-23 EP disclosed
CN-110770211-A α unsaturated amide compound 协和麒麟株式会社 2020-02-07 CN disclosed
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2019-01-10 US disclosed
EP-3401309-A1 a, ß UNSATURATED AMIDE COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2018-11-14 EP 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 (6 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-20210155612-A1 Alpha,Beta-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, RXRA TRPV1 1750/4885P2RX7 730/4885PTGDR2 510/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB TRPV1 1595/4885P2RX7 605/4885PTGDR2 568/4885
US-10787428-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 TRPV1 1746/4885P2RX7 388/4885PTGDR2 758/4885
US-20210380551-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 TRPV1 1868/4885P2RX7 480/4885PTGDR2 673/4885
US-11332455-B2 α,β-unsaturated amide compound NR1H2, NCOA1, NR0B1 TRPV1 1746/4885P2RX7 388/4885PTGDR2 758/4885
US-20190010136-A1 ALPHA,BETA-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, NCOA1 TRPV1 1868/4885P2RX7 480/4885PTGDR2 673/4885

“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.