SCHEMBL24428002

SCHEMBL24428002

Cc1ncc(-c2ccc3[nH]ncc3c2F)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.48
▸ DRD1 P21728 3/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ IDO1 P14902 1/20 0.34
▸ METAP2 P50579 4/20 0.33
▸ ESR1 P03372 3/20 0.33
▸ AXL P30530 2/20 0.33
▸ ESR2 Q92731 2/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ NOS1 P29475 4/20 0.33

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
SCHEMBL24427509 0.75 TRPA1 (0.50) TRPA1DRD1IDO1METAP2ESR1
SCHEMBL24427503 0.73 TRPA1 (0.51) TRPA1DRD1IDO1METAP2ESR1
SCHEMBL24427505 0.73 TRPA1 (0.50) TRPA1IDO1NOS1
SCHEMBL9909086 0.72 TRPA1 (0.47) TRPA1DRD1IDO1METAP2ESR1
SCHEMBL29769117 0.72 TRPA1 (0.47) TRPA1DRD1IDO1METAP2ESR1
SCHEMBL24427806 0.72 CYP2A6 (0.39) CYP2A6
SCHEMBL24427336 0.71 MAP4K4 (0.34) CYP2A6
SCHEMBL30494470 0.71 TRPA1 (0.51) TRPA1METAP2PIK3CA
SCHEMBL26463445 0.71 TRPA1 (0.51) TRPA1METAP2PIK3CA
SCHEMBL24427771 0.69 CYP2A6 (0.36) CYP2A6

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-11518766-B2 Tricyclic compound, preparation method therefor and use thereof SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD. (CN) 2022-12-06 — — US disclosed
EP-3998263-A1 TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2022-05-18 — — 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 (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-11518766-B2 Tricyclic compound, preparation method therefor and use thereof TFPI, TFPI2, F11 TRPA1 1687/4885DRD1 4420/4885CYP2A6 930/4885

“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.

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