SCHEMBL1609263

SCHEMBL1609263

CC(=O)Oc1cc2c(cc1O)CN(c1ccc(Cl)cc1)C2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
HTR2C P28335 5/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
AMY1A P0DUB6 1/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
PKM P14618 3/20 0.37
HTR2A P28223 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
PGR P06401 1/20 0.36
CYP3A4 P08684 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
SCHEMBL1608759 0.91 PTGES (0.42) PTGESCYP11B1CYP11B2HTR2CMAPT
SCHEMBL1609194 0.82 CYP11B1 (0.47) PTGESCYP11B1CYP11B2HTR2CMAPT
SCHEMBL1608784 0.78 HTR2C (0.50) CYP11B1CYP11B2HTR2CMAPTPOLB
SCHEMBL1608925 0.75 SMN1; SMN2 (0.41) PTGESMAPTPOLBAMY1ANPC1
SCHEMBL10085927 0.75 NPC1 (0.44) HTR2CMAPTPOLBNPC1RAB9A
SCHEMBL18470574 0.70 NPC1 (0.59) PTGESCYP11B1CYP11B2HTR2CMAPT
SCHEMBL17199145 0.68 NPC1 (0.46) PTGESCYP11B1CYP11B2HTR2CMAPT
SCHEMBL4946651 0.67 NPC1 (0.70) CYP11B2MAPTPOLBNPC1RAB9A
SCHEMBL27590601 0.67 ABCB11 (0.47) MAPTPOLBAMY1ANPC1RAB9A
SCHEMBL10086457 0.66 NPC1 (0.47) HTR2CPOLBNPC1RAB9APKM

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 PTGES 334/4885CYP11B1 29/4885CYP11B2 31/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 PTGES 830/4885CYP11B1 48/4885CYP11B2 64/4885

“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.