SCHEMBL296899

SCHEMBL296899

[c]1ccccc1-n1cccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.42
NPC1 O15118 2/20 0.42
NOTUM Q6P988 1/20 0.41
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
G6PD P11413 1/20 0.38
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GLA P06280 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC4 P56524 1/20 0.34
TDO2 P48775 1/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL28598348 0.74 ALDH1A1 (0.41) MAPK1NPC1NOTUMALDH1A1KDM4E
SCHEMBL586173 0.74 NOTUM (0.40) NOTUM
SCHEMBL28070854 0.74 NOTUM (0.49) MAPK1NPC1NOTUMALDH1A1KDM4E
SCHEMBL17007372 0.73 NOTUM (0.39) MAPK1NPC1NOTUMALDH1A1KDM4E
SCHEMBL1586114 0.72 CYP19A1 (0.31)
SCHEMBL296250 0.72 NOTUM (0.41) MAPK1NPC1NOTUMALDH1A1KDM4E
SCHEMBL1195851 0.72 NOTUM (0.55) MAPK1NPC1NOTUMALDH1A1KDM4E
SCHEMBL17007138 0.72 MAPK1 (0.42) MAPK1NPC1NOTUMALDH1A1KDM4E
SCHEMBL586172 0.71 CYP2A6 (0.42) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL17007391 0.69 MAPK1 (0.40) MAPK1NPC1NOTUMALDH1A1KDM4E

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 213 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3107898-B1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2021-01-06 EP claimed
US-10689373-B2 1,2-substituted cyclopentanes as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-06-23 US claimed
US-20190284200-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2019-09-19 US claimed
CN-106164047-B 1,2- substituted cyclopentane as orexin receptor antagonists 武田药品工业株式会社 2019-04-16 CN claimed
EP-3464292-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2019-04-10 EP claimed
US-20180282309-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-04 US claimed
US-10011588-B2 1,2-substituted cyclopentanes as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-07-03 US claimed
WO-2017214002-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2017-12-14 WO claimed
US-20170066744-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-09 US claimed
EP-3107898-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2016-12-28 EP claimed
CN-101528748-A Imidazopyridazines as PI3K lipid kinase inhibitors NOVARTIS AG (CH) 2009-09-09 CN claimed
CN-101516885-A Pyrazolopyrimidines as PI3K lipid kinase inhibitors NOVARTIS AG (CH) 2009-08-26 CN claimed
EP-2081933-A1 PYRAZOLOPYRIMIDINES AS P13K LIPID KINASE INHIBITORS Novartis Ag (CH) 2009-07-29 EP claimed
EP-2079744-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS Novartis AG (CH) 2009-07-22 EP claimed
US-7507732-B2 Cyclopentapyridine and tetrahydroquinoline derivatives PFIZER INC. (US) 2009-03-24 US claimed
EP-1972631-A1 Imidazopyridazines as PI3K lipid kinase inhibitors Novartis AG (CH) 2008-09-24 EP claimed
WO-2008052733-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-05-08 WO claimed
WO-2008037477-A1 PYRAZOLOPYRIMIDINES AS P13K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-04-03 WO claimed
US-5547727-A RADIATION TRANSPARENT SUBSTRATE WITH RECORDING AND REFLECTION LAYERS WITH DYES OF CATIONIC AZOCYANINE DYES EASTMAN KODAK COMPANY (US) 1996-08-20 US claimed
EP-0717402-A2 Optical recording elements having recording layers containing cationic azo dyes EASTMAN KODAK COMPANY (US) 1996-06-19 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20180282309-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY1R MAPK1 2620/4885NPC1 1273/4885NOTUM 4479/4885
US-20190284200-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 MAPK1 2226/4885NPC1 786/4885NOTUM 3219/4885
US-10011588-B2 1,2-substituted cyclopentanes as orexin receptor antagonists HCRTR1, HCRTR2, NPY1R MAPK1 2428/4885NPC1 1164/4885NOTUM 4545/4885
US-20170066744-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY1R MAPK1 2428/4885NPC1 1164/4885NOTUM 4545/4885
US-10689373-B2 1,2-substituted cyclopentanes as orexin receptor antagonists HCRTR1, HCRTR2, NPY1R MAPK1 2620/4885NPC1 1273/4885NOTUM 4479/4885

“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.