SCHEMBL9898745

SCHEMBL9898745

CN=C1CCC2(CC1)OCCO2

nearest known ligand 0.30

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ESR2 Q92731 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL5126540 0.76 KDM4E (0.43) KDM4ELMNATP53POLBHTT
SCHEMBL19104840 0.76 ALDH1A1 (0.31)
SCHEMBL17592632 0.76 SLC6A4 (0.30)
SCHEMBL24423878 0.71
SCHEMBL613605 0.69 GPR3 (0.33)
SCHEMBL12205016 0.69 POLB (0.31) KDM4EPOLB
SCHEMBL20408206 0.69 POLB (0.31) KDM4EPOLB
SCHEMBL13676458 0.69
SCHEMBL2650564 0.69 POLB (0.31) KDM4ELMNATP53POLBHTT
SCHEMBL6594728 0.69 POLB (0.31) KDM4ELMNATP53POLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119613421-A Xibo citrate Synthesis method of patuo 江苏海洋大学 2025-03-14 CN claimed
CN-119613421-A Xibo citrate Synthesis method of patuo 江苏海洋大学 2025-03-14 CN disclosed
US-20170362191-A1 Substituted Cyclohexylamine Compounds Epizyme, Inc. (US) 2017-12-21 US disclosed
EP-2649044-B1 METHOD FOR SYNTHESISING SUBSTITUTED AMINOCYCLOHEXANONE DERIVATIVES GRUENENTHAL GMBH (DE) 2017-09-20 EP disclosed
EP-2649044-B1 METHOD FOR SYNTHESISING SUBSTITUTED AMINOCYCLOHEXANONE DERIVATIVES GRUENENTHAL GMBH (DE) 2017-09-20 EP disclosed
US-8658827-B2 Method for synthesizing substituted aminocyclohexanone compounds GRUENENTHAL GMBH (DE) 2014-02-25 US disclosed
US-8658827-B2 Method for synthesizing substituted aminocyclohexanone compounds GRUENENTHAL GMBH (DE) 2014-02-25 US disclosed
US-8658827-B2 Method for synthesizing substituted aminocyclohexanone compounds GRUENENTHAL GMBH (DE) 2014-02-25 US disclosed
EP-2649044-A1 METHOD FOR SYNTHESISING SUBSTITUTED AMINOCYCLOHEXANONE DERIVATIVES Grünenthal GmbH (DE) 2013-10-16 EP disclosed
US-20120149914-A1 Method for Synthesizing Substituted Aminocyclohexanone Compounds GRUENENTHAL GMBH (DE) 2012-06-14 US disclosed
US-20120149914-A1 Method for Synthesizing Substituted Aminocyclohexanone Compounds GRUENENTHAL GMBH (DE) 2012-06-14 US disclosed
US-20120149914-A1 Method for Synthesizing Substituted Aminocyclohexanone Compounds GRUENENTHAL GMBH (DE) 2012-06-14 US disclosed
WO-2012076165-A1 METHOD FOR SYNTHESISING SUBSTITUTED AMINOCYCLOHEXANONE DERIVATIVES Grünenthal GmbH (DE) 2012-06-14 WO disclosed
WO-2012076165-A1 METHOD FOR SYNTHESISING SUBSTITUTED AMINOCYCLOHEXANONE DERIVATIVES Grünenthal GmbH (DE) 2012-06-14 WO 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-20170362191-A1 Substituted Cyclohexylamine Compounds SMYD3, SMYD2, SNRPD3 KDM4E 193/4885LMNA 4325/4885TP53 88/4885
US-20120149914-A1 Method for Synthesizing Substituted Aminocyclohexanone Compounds CCNK, WNK2, CDK2 KDM4E 2565/4885LMNA 2329/4885TP53 3048/4885

“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.