SCHEMBL1608784

SCHEMBL1608784

COc1cc2c(cc1OC)C(=O)N(c1ccc(Cl)cc1)C2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.50
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
PKM P14618 1/20 0.49
HTR2A P28223 2/20 0.47
HTR2B P41595 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CMA1 P23946 1/20 0.45
MCHR1 Q99705 2/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
UGCG Q16739 1/20 0.43

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
SCHEMBL10086457 0.86 NPC1 (0.47) HTR2CNPC1RAB9APKMHTR2A
SCHEMBL1608759 0.84 PTGES (0.42) HTR2CNPC1RAB9APKMHTR2A
SCHEMBL10085490 0.78 NPC1 (0.65) NPC1RAB9APKMMEN1KMT2A
SCHEMBL10085782 0.78 MCHR1 (0.46) HTR2CNPC1RAB9APKMHTR2A
SCHEMBL1609263 0.78 PTGES (0.40) HTR2CNPC1RAB9APKMHTR2A
SCHEMBL1609194 0.78 CYP11B1 (0.47) HTR2CNPC1RAB9APKMMEN1
SCHEMBL10085927 0.77 NPC1 (0.44) HTR2CNPC1RAB9APKMHTR2A
SCHEMBL10086549 0.77 NPC1 (0.44) HTR2CNPC1RAB9APKMHTR2A
SCHEMBL18470574 0.77 NPC1 (0.59) HTR2CNPC1RAB9APKMHTR2A
SCHEMBL13113373 0.76 LPAR5 (0.44) HTR2CNPC1RAB9APKMHTR2A

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
US-8318785-B2 Pharmaceutical compounds ORION CORPORATION (FI) 2012-11-27 US disclosed
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2011-04-14 US disclosed
EP-1910325-B1 NEW PHARMACEUTICAL COMPOUNDS ORION CORP (FI) 2010-10-06 EP disclosed
US-20090209532-A1 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2009-08-20 US disclosed
EP-1910325-A2 NEW PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2008-04-16 EP disclosed
WO-2007010085-A2 NEW PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2007-01-25 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-20090209532-A1 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, UGT1A1 HTR2C 258/4885NPC1 558/4885RAB9A 555/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 HTR2C 325/4885NPC1 1824/4885RAB9A 625/4885

“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.