SCHEMBL28727062

SCHEMBL28727062

Oc1ccc2ccccc2c1Cc1c(OCCN2CCOCC2)ccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.60
▸ MAPT P10636 3/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ CNR1 P21554 1/20 0.56
▸ CNR2 P34972 1/20 0.56
▸ TSHR P16473 2/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ DRD1 P21728 1/20 0.48
▸ DRD4 P21917 1/20 0.48
▸ DRD5 P21918 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ POLB P06746 2/20 0.46

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
SCHEMBL23515253 0.90 KDM4E (0.58) KDM4EMAPTKMT2ANPSR1CYP1A2
SCHEMBL30186217 0.90 KDM4E (0.54) KDM4EMAPTKMT2ACNR1CNR2
SCHEMBL29625681 0.90 KDM4E (0.58) KDM4EMAPTKMT2ANPSR1CYP1A2
SCHEMBL29625684 0.88 CRHBP (0.59) KDM4EMAPTTSHRCYP1A2CYP2C19
SCHEMBL23515210 0.88 CRHBP (0.59) KDM4EMAPTTSHRCYP1A2CYP2C19
SCHEMBL9935250 0.84 LTA4H (0.63) KDM4EMAPTKMT2ACNR1CNR2
Formic Acid SCHEMBL28938701 0.84 OPRK1 (0.53) KDM4EMAPTKMT2ACNR1CNR2
SCHEMBL9967009 0.81 LTA4H (0.58) KDM4ECNR1CNR2TSHRNPSR1
SCHEMBL9940254 0.80 LTA4H (0.57) CNR1CNR2TSHRNPSR1DRD1
SCHEMBL9966739 0.79 LTA4H (0.56) CNR1CNR2TSHRNPSR1DRD1

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 4 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
CN-114401935-B Ion channel antagonists/blockers and uses thereof 上海市东方医院(同济大学附属东方医院) 2024-04-05 — — CN disclosed
US-20230015875-A1 Ion Channel Antagonists/Blockers and Uses Thereof SHANGHAI EAST HOSPITAL (CN) 2023-01-19 — — US disclosed
CN-114401935-A Ion channel antagonists/blockers and uses thereof 上海市东方医院(同济大学附属东方医院) 2022-04-26 — — CN 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 3795/4885MAPT 2678/4885KMT2A 3777/4885
US-12187681-B2 Ion channel antagonists/blockers and uses thereof CACNA1F, CACNA1S, CACNA1D KDM4E 3795/4885MAPT 2678/4885KMT2A 3777/4885

“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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