SCHEMBL10685124

SCHEMBL10685124

CC1CCCN(CC2CC2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
KDM4E B2RXH2 2/20 0.49
CHRM5 P08912 1/20 0.46
ADRA2C P18825 1/20 0.46
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 2/20 0.41
KDM2B Q8NHM5 5/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SCN1A P35498 1/20 0.39
SCN4A P35499 1/20 0.39
SCN7A Q01118 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
SCN11A Q9UI33 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39

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
SCHEMBL12717548 1.00 ACHE (0.50) ACHEKDM4ECHRM5ADRA2CCYP3A4
SCHEMBL21120881 1.00 ACHE (0.50) ACHEKDM4ECHRM5ADRA2CCYP3A4
SCHEMBL12950313 0.94 ACHE (0.59) ACHEKDM4ECHRM5ADRA2CCYP3A4
SCHEMBL1201944 0.92 ACHE (0.62) ACHEKDM4ECHRM5ADRA2CCYP3A4
SCHEMBL12950189 0.88 KDM4E (0.44) ACHEKDM4ECHRM5ADRA2CCYP3A4
SCHEMBL12449646 0.87 ACHE (0.43) ACHEKDM4ECHRM5ADRA2CCYP3A4
SCHEMBL13661316 0.87 ACHE (0.43) ACHEKDM4ECHRM5ADRA2CCYP3A4
SCHEMBL12946594 0.87 KDM4E (0.42) ACHEKDM4ECHRM5ADRA2CCYP3A4
SCHEMBL12827 0.87 ACHE (0.43) ACHEKDM4ECHRM5ADRA2CCYP3A4
SCHEMBL10130194 0.86 ACHE (0.59) ACHEKDM4ECHRM5ADRA2CKDM2B

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
EP-4289823-A1 SUBSTITUTED PYRIDAZINE PHENOL DERIVATIVES Medshine Discovery Inc. (CN) 2023-12-13 EP disclosed
WO-2023131277-A1 NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF 药捷安康(南京)科技股份有限公司 2023-07-13 WO disclosed
WO-2023125989-A1 QUINAZOLINE COMPOUND AND APPLICATION THEREOF 上海医药集团股份有限公司 2023-07-06 WO disclosed
WO-2022256554-A1 FLUORINATED TRYPTAMINE COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME UNIVERSITY OF THE SCIENCES (US) 2022-12-08 WO disclosed
EP-3242872-B1 (PIPERIDIN-3-YL)(NAPHTHALEN-2-YL)METHANONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HISTONE DEMETHYLASE KDM2B FOR THE TREATMENT OF CANCER GENENTECH INC (US) 2019-07-03 EP disclosed
US-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2016-10-13 US disclosed
US-4780478-A Aminopropoxy-chromones useful as antidepressants MERCK PATENT GESELLSCHAFT MIT BERSCHRANKTER HAFTUNG (DE) 1988-10-25 US disclosed
US-4508732-A Basic ethers useful as antidepressant agents MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-04-02 US disclosed
EP-0031885-B1 BASIC ETHERS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR THEIR PREPARATION MERCK PATENT GmbH (DE) 1984-06-27 EP disclosed
US-4376123-A Hexahydroazepinyloxy-chromones useful as antidepressants MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-03-08 US disclosed
EP-0031885-A1 Basic ethers, pharmaceutical compositions containing them and process for their preparation MERCK PATENT GmbH (DE) 1981-07-15 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-20160297774-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS ACHE 3719/4885KDM4E 3345/4885CHRM5 1893/4885

“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.