SCHEMBL1862280

SCHEMBL1862280

[c]1ccccc1CCc1ccncc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.42
CYP1A2 P05177 4/20 0.42
CYP3A4 P08684 4/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
HIF1A Q16665 1/20 0.42
LTA4H P09960 1/20 0.40
ABCB1 P08183 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
HRH1 P35367 2/20 0.37
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
ALPG P10696 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL158396 0.84 MAOA (0.43) LOXL2TDP1SMN1; SMN2
SCHEMBL8182895 0.82 CYP11B1 (0.39) LOXL2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL216358 0.81
SCHEMBL9320456 0.77 KCNH2 (0.47) CYP1A2HRH3TDP1L3MBTL1HRH1
SCHEMBL4405621 0.77 ESR1 (0.54) CYP2C19LTA4HTDP1L3MBTL1
SCHEMBL9114210 0.74 CYP1A2 (0.65) LOXL2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL151822 0.73 LOXL2 (0.68) LOXL2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8094403 0.73 KCNJ1 (0.46) LOXL2ABCB1HRH1SMN1; SMN2
SCHEMBL17730 0.73
SCHEMBL6294089 0.72 MAOA (0.48) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163751-B2 Acylated indanyl amines and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2012-04-24 US claimed
CN-101309900-B Substituted cycloalkene derivative DAIICHI SANKYO CO LTD 2015-04-22 CN disclosed
US-RE43858-E1 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-12-11 US disclosed
US-7935835-B2 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-03 US disclosed
US-20090233952-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
CN-101309900-A Substituted cycloalkene derivative DAIICHI SANKYO CO LTD (JP) 2008-11-19 CN disclosed
EP-1935879-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-06-25 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-20090233952-A1 SUBSTITUTED CYCLOALKENE DERIVATIVE CD40, LITAF, TNF LOXL2 1386/4885CYP1A2 1812/4885CYP3A4 1271/4885

“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.