SCHEMBL8425645

SCHEMBL8425645

CCc1ccnc(-c2cc(C)ccn2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.68
CCR5 P51681 2/20 0.68
CCR8 P51685 2/20 0.68
NOS2 P35228 3/20 0.52
NOS3 P29474 2/20 0.52
NOS1 P29475 2/20 0.52
METAP2 P50579 1/20 0.49
UHRF1 Q96T88 1/20 0.45
CYP2A6 P11509 1/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 1/20 0.42
RXRA P19793 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
PIM1 P11309 1/20 0.39
JMJD6 Q6NYC1 2/20 0.38
PKM P14618 1/20 0.38
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL31279599 0.89 NOS3 (0.61) CCR1CCR5CCR8NOS2NOS3
SCHEMBL913143 0.89 NOS3 (0.61) CCR1CCR5CCR8NOS2NOS3
SCHEMBL17132035 0.89 CCR1 (0.63) CCR1CCR5CCR8NOS2NOS3
SCHEMBL23037127 0.86 CCR1 (0.71) CCR1CCR5CCR8NOS2NOS3
SCHEMBL29693673 0.86 CCR1 (0.71) CCR1CCR5CCR8NOS2NOS3
SCHEMBL15082607 0.86 CCR1 (0.71) CCR1CCR5CCR8NOS2NOS3
SCHEMBL181893 0.82 CCR1 (1.00) CCR1CCR5CCR8NOS2NOS3
SCHEMBL29397106 0.82 CCR1 (1.00) CCR1CCR5CCR8NOS2NOS3
SCHEMBL5468413 0.82 CCR1 (0.65) CCR1CCR5CCR8NOS2NOS3
SCHEMBL29680018 0.82 CCR1 (0.65) CCR1CCR5CCR8NOS2NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11031237-B2 Aromatic amino siloxane functionalized materials for use in capping porous dielectrics MERCK PATENT GMBH (DE) 2021-06-08 US disclosed
US-20200273701-A1 AROMATIC AMINO SILOXANE FUNCTIONALIZED MATERIALS FOR USE IN CAPPING POROUS DIELECTRICS EMD PERFORMANCE MATERIALS CORPORATION 2020-08-27 US disclosed
EP-2231900-B1 MONOLITHIC CATALYST SYSTEM FOR THE PHOTOLYSIS OF WATER CFSO GMBH (DE) 2019-06-12 EP disclosed
US-8883671-B2 Monolithic catalyst system for the photolysis of water CFSO GMBH (DE) 2014-11-11 US disclosed
US-8883671-B2 Monolithic catalyst system for the photolysis of water CFSO GMBH (DE) 2014-11-11 US disclosed
US-20110220484-A1 MONOLITHIC CATALYST SYSTEM FOR THE PHOTOLYSIS OF WATER CFSO GMBH (DE) 2011-09-15 US disclosed
US-20110220484-A1 MONOLITHIC CATALYST SYSTEM FOR THE PHOTOLYSIS OF WATER CFSO GMBH (DE) 2011-09-15 US disclosed
US-7411053-B2 Ligand-functionalized/azo compounds and methods of use thereof HARRUNA ISSIFU I 2008-08-12 US disclosed
US-7411053-B2 Ligand-functionalized/azo compounds and methods of use thereof HARRUNA ISSIFU I 2008-08-12 US disclosed
US-20070276104-A1 LIGAND-FUNCTIONALIZED/AZO COMPOUNDS AND METHODS OF USE THEREOF HARRUNA ISSIFU I 2007-11-29 US disclosed
US-20070276104-A1 LIGAND-FUNCTIONALIZED/AZO COMPOUNDS AND METHODS OF USE THEREOF HARRUNA ISSIFU I 2007-11-29 US disclosed
US-5874587-A FLUORESCENCE THE ROCKEFELLER UNIVERSITY (US) 1999-02-23 US 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 (3 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-11031237-B2 Aromatic amino siloxane functionalized materials for use in capping porous dielectrics ZYX, YBX1, CDYL CCR1 2442/4885CCR5 2686/4885CCR8 3043/4885
US-20070276104-A1 LIGAND-FUNCTIONALIZED/AZO COMPOUNDS AND METHODS OF USE THEREOF FLT3, ALK, NECTIN4 CCR1 204/4885CCR5 210/4885CCR8 124/4885
US-20200273701-A1 AROMATIC AMINO SILOXANE FUNCTIONALIZED MATERIALS FOR USE IN CAPPING POROUS DIELECTRICS ZYX, YBX1, CDYL CCR1 2442/4885CCR5 2686/4885CCR8 3043/4885

“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.