SCHEMBL4344735

SCHEMBL4344735

O=C[C@@]1(c2ccccc2)C[C@@H]1c1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
KDM1A O60341 9/20 0.39
RCOR1 Q9UKL0 5/20 0.39
MAOA P21397 4/20 0.38
MAOB P27338 4/20 0.38
SLC6A2 P23975 4/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 3/20 0.37
CYP2D6 P10635 2/20 0.37
KCNH2 Q12809 2/20 0.37
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
CYP3A4 P08684 1/20 0.33

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
SCHEMBL14401494 1.00 KDM4E (0.41) KDM4EKDM1ARCOR1MAOAMAOB
SCHEMBL13914853 1.00 KDM4E (0.41) KDM4EKDM1ARCOR1MAOAMAOB
SCHEMBL10750172 0.71 KDM1A (0.46) KDM1ARCOR1MAOB
SCHEMBL28559261 0.70 KDM1A (0.46) KDM4EKDM1ARCOR1MAOAMAOB
SCHEMBL31083268 0.70 KDM1A (0.46) KDM4EKDM1ARCOR1MAOAMAOB
SCHEMBL14401495 0.68 ADAM17 (0.50) HTR2C
SCHEMBL4338557 0.68 ADAM17 (0.50) HTR2C
SCHEMBL13914852 0.68 ADAM17 (0.50) HTR2C
SCHEMBL4338559 0.68 ADAM17 (0.50) HTR2C
SCHEMBL13045928 0.68 KCNH2 (0.39) MAOAMAOBKCNH2

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-7501453-B2 Cyclopropanes with central nervous system activity THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2009-03-10 US disclosed
US-20070244201-A1 Cyclopropanes with central nervous system activity NIH-DEITR 2007-10-18 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 (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-20070244201-A1 Cyclopropanes with central nervous system activity PMP22, CNR1, CNR2 KDM4E 4301/4885KDM1A 4710/4885RCOR1 2786/4885

“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.