SCHEMBL7124872

SCHEMBL7124872

CCc1cc(C)c(C)cn1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 5/20 0.46
NOS2 P35228 5/20 0.46
NOS1 P29475 3/20 0.46
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 2/20 0.31
SREBF1 P36956 1/20 0.30
SREBF2 Q12772 1/20 0.30
GPBAR1 Q8TDU6 1/20 0.30
UHRF1 Q96T88 1/20 0.30
CCR1 P32246 1/20 0.30
CCR5 P51681 1/20 0.30
CCR8 P51685 1/20 0.30

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
SCHEMBL7126232 0.81 NOS3 (0.45) NOS3NOS2NOS1CYP1A2POLB
SCHEMBL10272610 0.79 NOS3 (0.36) NOS3NOS2NOS1CYP1A2POLB
SCHEMBL18062083 0.79 ESR1 (0.38) NOS3NOS2NOS1CYP1A2POLB
SCHEMBL20288204 0.79 NOS3 (0.35) NOS3NOS2NOS1CYP1A2POLB
SCHEMBL6486053 0.79 HCRTR1 (0.37) NOS3NOS2NOS1CYP1A2POLB
SCHEMBL10272611 0.79 NOS3 (0.35) NOS3NOS2NOS1CYP1A2POLB
SCHEMBL10271475 0.79 NOS3 (0.35) NOS3NOS2NOS1CYP1A2POLB
SCHEMBL16414636 0.78 NOS3 (0.50) NOS3NOS2NOS1ALDH1A1UHRF1
SCHEMBL15417759 0.78 NOS3 (0.44) NOS3NOS2NOS1ALDH1A1CCR1
SCHEMBL15417381 0.78 NOS3 (0.38) NOS3NOS2NOS1CYP1A2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230128713-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2023-04-27 US disclosed
US-20220144855-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD. (KR) 2022-05-12 US disclosed
US-20220144856-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, A PLURALITY OF HOST MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2022-05-12 US disclosed
US-20220045281-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2022-02-10 US disclosed
EP-3192511-A1 PHARMACEUTICAL CONTAINING SODIUM-DEPENDENT PHOSPHATE TRANSPORTER INHIBITOR Chugai Seiyaku Kabushiki Kaisha (JP) 2017-07-19 EP disclosed
US-20170022192-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY 2017-01-26 US disclosed
US-9505748-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFNα responses BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-29 US disclosed
US-20150299183-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY 2015-10-22 US disclosed
US-8309577-B2 Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US disclosed
US-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
US-20080107608-A1 5-Substituted-2-Arylpyridines GE PING 2008-05-08 US disclosed
US-20080015196-A1 Imidazopyrazines, Imidazopyridines, and Imidazopyrimidines as Crf1 Receptor Ligands NEUROGEN CORPORATION (US) 2008-01-17 US disclosed
US-7223778-B2 5-substituted-2-arylpyridines NEUROGEN CORPORATION (US) 2007-05-29 US disclosed
US-20030064989-A1 Inhibitors of cell proliferation, angiogenesis, fertility, and muscle contraction REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2003-04-03 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 (11 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-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 NOS3 2801/4885NOS2 3530/4885NOS1 2447/4885
US-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 NOS3 2801/4885NOS2 3530/4885NOS1 2447/4885
US-20150299183-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES IFNG, IFNAR1, TYK2 NOS3 866/4885NOS2 897/4885NOS1 1614/4885
US-20220045281-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ELAVL1, ICOSLG, OR10J3 NOS3 1775/4885NOS2 1131/4885NOS1 1382/4885
US-20170022192-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES IFNG, IFNAR1, TYK2 NOS3 866/4885NOS2 897/4885NOS1 1614/4885
US-20230128713-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND ORC3, LEF1, OCIAD1 NOS3 2270/4885NOS2 2140/4885NOS1 862/4885
US-20030064989-A1 Inhibitors of cell proliferation, angiogenesis, fertility, and muscle contraction MYH10, MYLK, MKI67 NOS3 416/4885NOS2 1820/4885NOS1 1076/4885
US-20080015196-A1 Imidazopyrazines, Imidazopyridines, and Imidazopyrimidines as Crf1 Receptor Ligands CRHR1, CRHR2, CRHBP NOS3 4604/4885NOS2 4564/4885NOS1 4522/4885
US-20220144855-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME OR10J3, ICOSLG, EPCAM NOS3 2071/4885NOS2 1661/4885NOS1 1908/4885
US-20220144856-A1 ORGANIC ELECTROLUMINESCENT COMPOUND, A PLURALITY OF HOST MATERIALS, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME OR10J3, L1CAM, EPCAM NOS3 2850/4885NOS2 2301/4885NOS1 2280/4885
US-20080107608-A1 5-Substituted-2-Arylpyridines CRHR2, CRHR1, HTR2C NOS3 4605/4885NOS2 4466/4885NOS1 4658/4885

“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.