SCHEMBL30186217

SCHEMBL30186217

Oc1ccc2ccccc2c1Cc1c(OCCN2CCC2)ccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ MAPT P10636 3/20 0.54
▸ GAA P10253 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ CRHBP P24387 1/20 0.53
▸ CRHR2 Q13324 1/20 0.53
▸ OPRK1 P41145 1/20 0.53
▸ TDP1 Q9NUW8 3/20 0.48
▸ HRH3 Q9Y5N1 4/20 0.46
▸ HTR2A P28223 2/20 0.46
▸ HTR7 P34969 2/20 0.46
▸ HTR6 P50406 2/20 0.46
▸ GCGR P47871 1/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ PKM P14618 1/20 0.45

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
SCHEMBL29625681 0.98 KDM4E (0.58) KDM4EALDH1A1MAPTGAACYP1A2
SCHEMBL23515253 0.98 KDM4E (0.58) KDM4EALDH1A1MAPTGAACYP1A2
SCHEMBL29625684 0.96 CRHBP (0.59) KDM4EALDH1A1MAPTGAACYP1A2
SCHEMBL23515210 0.96 CRHBP (0.59) KDM4EALDH1A1MAPTGAACYP1A2
Formic Acid SCHEMBL28938701 0.92 OPRK1 (0.53) KDM4EALDH1A1MAPTGAACYP1A2
SCHEMBL28727062 0.90 KDM4E (0.60) KDM4EALDH1A1MAPTGAACYP1A2
SCHEMBL28727056 0.84 OPRK1 (0.59) KDM4EALDH1A1CYP1A2CYP2C19HSD17B10
SCHEMBL29625739 0.84 OPRK1 (0.59) KDM4EALDH1A1CYP1A2CYP2C19HSD17B10
SCHEMBL23499974 0.83 OPRK1 (0.55) KDM4EALDH1A1CYP1A2CYP2C19HSD17B10
SCHEMBL29625704 0.83 OPRK1 (0.55) KDM4EALDH1A1CYP1A2CYP2C19HSD17B10

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-12187681-B2 Ion channel antagonists/blockers and uses thereof SHANGHAI EAST HOSPITAL (CN) 2025-01-07 — — US disclosed
US-20230015875-A1 Ion Channel Antagonists/Blockers and Uses Thereof SHANGHAI EAST HOSPITAL (CN) 2023-01-19 — — 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-20230015875-A1 Ion Channel Antagonists/Blockers and Uses Thereof CACNA1F, CACNA1S, CACNA1D KDM4E 3795/4885ALDH1A1 1001/4885MAPT 2678/4885
US-12187681-B2 Ion channel antagonists/blockers and uses thereof CACNA1F, CACNA1S, CACNA1D KDM4E 3795/4885ALDH1A1 1001/4885MAPT 2678/4885

“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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