SCHEMBL5861792

SCHEMBL5861792

Cc1cc(-n2cccc2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.46
MAPT P10636 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 3/20 0.38
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RXRA P19793 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
DYRK1A Q13627 1/20 0.35
APP P05067 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
SCHEMBL21863400 0.79 UHRF1 (0.46) UHRF1KMT2ACCR1CCR5CCR8
SCHEMBL27368425 0.79 CYP3A4 (0.50) UHRF1MAPTMEN1KMT2ACYP2A6
SCHEMBL9109135 0.76 PCSK9 (0.43) UHRF1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL28047779 0.75 MAPT (0.50) MAPTNPC1RAB9APOLBHSD17B10
SCHEMBL2380248 0.75 MAPT (0.41) MAPTNPC1RAB9APOLBHSD17B10
SCHEMBL17828141 0.75 POLB (0.42) MAPTNPC1RAB9APOLBHSD17B10
SCHEMBL16720051 0.75 LOX (0.44) MAPTNPC1RAB9APOLBNPSR1
SCHEMBL2028222 0.75 GRM5 (0.51) UHRF1MAPTMEN1KMT2AKDM4E
SCHEMBL21186191 0.72 HRH4 (0.50) UHRF1MAPTNPC1RAB9AMEN1
SCHEMBL29984511 0.72 UHRF1 (0.48) UHRF1CCR1CCR5CCR8RXRA

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-7034018-B2 Substituted pyrrole mannich bases to combat pain and allergic reactions GRUENENTHAL GMBH (DE) 2006-04-25 US disclosed
EP-1246799-B1 SUBSTITUTED PYRROLE MANNICH BASES TO COMBAT PAIN AND ALLERGIC REACTIONS GRUENENTHAL GMBH (DE) 2003-10-15 EP disclosed
US-20030023100-A1 Substituted pyrrole mannich bases to combat pain and allergic reactions GRUENENTHAL GMBH (DE) 2003-01-30 US disclosed
EP-1246799-A1 SUBSTITUTED PYRROLE MANNICH BASES TO COMBAT PAIN AND ALLERGIC REACTIONS Grünenthal GmbH (DE) 2002-10-09 EP disclosed
WO-2001047878-A1 SUBSTITUTED PYRROLE MANNICH BASES TO COMBAT PAIN AND ALLERGIC REACTIONS Grünenthal GmbH (DE) 2001-07-05 WO disclosed
WO-2001047882-A2 SUBSTANCE LIBRARY WHICH CAN BE OBTAINED BY REACTING ALDEHYDES WITH SECONDARY AMINES, ACID CHLORIDES AND NAPHTHOL, PYRROLE AND/OR INDOLE COMPOUNDS Grünenthal GmbH (DE) 2001-07-05 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 (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-20030023100-A1 Substituted pyrrole mannich bases to combat pain and allergic reactions CRHR1, CNR1, CRHR2 UHRF1 4074/4885MAPT 3702/4885NPC1 1653/4885

“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.