SCHEMBL3086407

SCHEMBL3086407

COCCCn1ncc2ccc(CCl)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 5/20 0.44
MAOB P27338 2/20 0.41
MAPK1 P28482 2/20 0.41
HTR2A P28223 4/20 0.40
HTR2C P28335 4/20 0.40
HTR2B P41595 3/20 0.40
REN P00797 2/20 0.40
MAOA P21397 1/20 0.38
BRD4 O60885 1/20 0.38
MCHR1 Q99705 1/20 0.37
CHRM2 P08172 3/20 0.36
CHRM1 P11229 3/20 0.36
CHRM3 P20309 2/20 0.36
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
HTR1D P28221 1/20 0.35
HTR7 P34969 1/20 0.35
HTR4 Q13639 1/20 0.35

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
SCHEMBL3780833 0.88 KMO (0.40) KMOMAOBMAPK1HTR2AHTR2C
SCHEMBL3074398 0.88 KMO (0.43) KMOMAOBMAPK1HTR2AHTR2C
SCHEMBL91363 0.83 KMO (0.58) KMOMAOBMAPK1HTR2AHTR2C
SCHEMBL3777719 0.82 HTR2A (0.44) KMOMAOBMAPK1HTR2AHTR2C
SCHEMBL3779615 0.82 KMO (0.42) KMOMAOBMAPK1HTR2AHTR2C
SCHEMBL13132364 0.80 ITK (0.43) KMOMAPK1HTR2AHTR2CHTR2B
SCHEMBL3775264 0.80 MAPK1 (0.41) KMOMAPK1HTR2AHTR2CHTR2B
SCHEMBL3779547 0.80 MAPK1 (0.39) KMOMAOBMAPK1HTR2AHTR2C
SCHEMBL3775268 0.80 MAPK1 (0.41) KMOMAPK1HTR2AHTR2CHTR2B
SCHEMBL3779549 0.80 MAPK1 (0.39) KMOMAOBMAPK1HTR2AHTR2C

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-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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-20090012055-A1 Organic compounds REN, ACE, ACE2 KMO 2346/4885MAOB 43/4885MAPK1 1717/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 KMO 2346/4885MAOB 43/4885MAPK1 1717/4885

“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.