SCHEMBL2352175

SCHEMBL2352175

c1ccc(OCCNC2CCCCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.69
CYP1A2 P05177 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C19 P33261 1/20 0.69
ALDH1A1 P00352 7/20 0.63
FOXM1 Q08050 1/20 0.63
KMT2A Q03164 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
MEN1 O00255 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
NPC1 O15118 1/20 0.57
PKM P14618 1/20 0.57
EPHX2 P34913 1/20 0.57
RAB9A P51151 1/20 0.57
HPGD P15428 1/20 0.53

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
SCHEMBL12204135 0.95 ALDH1A1 (0.70) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL23074698 0.95 ALDH1A1 (0.70) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL7140903 0.88 KDM4E (0.79) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL7135308 0.86 KDM4E (0.81) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL29045839 0.86 FOXM1 (0.85) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL12204045 0.83 KDM4E (0.56) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL23074658 0.83 KDM4E (0.88) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL8218962 0.83 KDM4E (0.53) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL2668605 0.83 KDM4E (0.56) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL23074654 0.83 KDM4E (0.88) KDM4ECYP1A2CYP2D6CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117285455-A 2-benzoyl indole compounds and application thereof 江苏开元药业有限公司 2023-12-26 CN disclosed
US-20110257225-A1 CYCLOHEXYLAMINE DERIVATIVE CONTAINING PHENYL GROUP, AND THERAPEUTIC AGENT FOR DISEASES ACCOMPANIED BY CENTRAL NERVOUS SYSTEM DISORDERS M'S SCIENCE CORPORATION (JP) 2011-10-20 US disclosed
US-20110257225-A1 CYCLOHEXYLAMINE DERIVATIVE CONTAINING PHENYL GROUP, AND THERAPEUTIC AGENT FOR DISEASES ACCOMPANIED BY CENTRAL NERVOUS SYSTEM DISORDERS M'S SCIENCE CORPORATION (JP) 2011-10-20 US disclosed
US-20110257225-A1 CYCLOHEXYLAMINE DERIVATIVE CONTAINING PHENYL GROUP, AND THERAPEUTIC AGENT FOR DISEASES ACCOMPANIED BY CENTRAL NERVOUS SYSTEM DISORDERS M'S SCIENCE CORPORATION (JP) 2011-10-20 US disclosed
EP-2357165-A1 CYCLOHEXYLAMINE DERIVATIVE CONTAINING PHENYL GROUP, AND THERAPEUTIC AGENT FOR DISEASES ACCOMPANIED BY CENTRAL NERVOUS SYSTEM DISORDERS M's Science Corporation (JP) 2011-08-17 EP disclosed
WO-2010050435-A1 CYCLOHEXYLAMINE DERIVATIVE CONTAINING PHENYL GROUP, AND THERAPEUTIC AGENT FOR DISEASES ACCOMPANIED BY CENTRAL NERVOUS SYSTEM DISORDERS 株式会社エムズサイエンス (JP) 2010-05-06 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 (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-20110257225-A1 CYCLOHEXYLAMINE DERIVATIVE CONTAINING PHENYL GROUP, AND THERAPEUTIC AGENT FOR DISEASES ACCOMPANIED BY CENTRAL NERVOUS SYSTEM DISORDERS SIGMAR1, OPRM1, OPRK1 KDM4E 2928/4885CYP1A2 703/4885CYP2D6 1180/4885

“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.