SCHEMBL4696324

SCHEMBL4696324

CCN(CC)C1CCN(c2cc[c]cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.35
CHIT1 Q13231 2/20 0.35
CHIA Q9BZP6 2/20 0.35
DRD3 P35462 9/20 0.35
DRD2 P14416 4/20 0.35
DRD4 P21917 4/20 0.35
CBX7 O95931 1/20 0.34
CDYL2 Q8N8U2 1/20 0.34
CDYL Q9Y232 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CDK4 P11802 4/20 0.34
CDK6 Q00534 1/20 0.34

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
SCHEMBL5544933 0.85 MCHR1 (0.41) CHIT1CHIADRD3DRD2DRD4
SCHEMBL27995386 0.84 CHRNA7 (0.50) DRD2L3MBTL3L3MBTL1SMN1; SMN2
SCHEMBL8728925 0.83 ADRB1 (0.46) L3MBTL3L3MBTL1SMN1; SMN2CDK4
SCHEMBL5547171 0.81 KDM4E (0.45) DRD3DRD2DRD4CBX7CDYL2
SCHEMBL520505 0.81 MAPT (0.53) CHIT1CHIADRD3DRD2L3MBTL3
SCHEMBL8728922 0.81 L3MBTL3 (0.37) ACKR3CHIT1CHIACBX7CDYL2
SCHEMBL5547166 0.81 SMN1; SMN2 (0.39) ACKR3CHIT1CHIACBX7CDYL2
SCHEMBL5545660 0.80 L3MBTL3 (0.43) L3MBTL3L3MBTL1
SCHEMBL7303320 0.76 MAPT (0.51) SMN1; SMN2
SCHEMBL12879741 0.74 ADRB1 (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101351467-A 3- (substituted amino) -pyrazolo [3, 4-d ] pyrimidines as EphB and VEGFR2 kinase inhibitors NOVARTIS AG (CH) 2009-01-21 CN claimed
US-20080275054-A1 3-(Substituted Amino)-Pyrazolo[3, 4-D]Pyrimidines as Ephb and Vegfr2 Kinase Inhibitors HOLZER PHILIPP 2008-11-06 US claimed
EP-1963327-A1 3-(SUBSTITUTED AMINO)-PYRAZOLO[3,4-d]PYRIMIDINES AS EPHB AND VEGFR2 KINASE INHIBITORS Novartis AG (CH) 2008-09-03 EP claimed
WO-2007062805-A1 3-(SUBSTITUTED AMINO)-PYRAZOLO[3,4-d]PYRIMIDINES AS EPHB AND VEGFR2 KINASE INHIBITORS NOVARTIS AG (CH) 2007-06-07 WO claimed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 ACKR3 144/4885CHIT1 3527/4885CHIA 4752/4885
US-20080275054-A1 3-(Substituted Amino)-Pyrazolo[3, 4-D]Pyrimidines as Ephb and Vegfr2 Kinase Inhibitors EPHB3, EPHB2, EPHB1 ACKR3 852/4885CHIT1 4521/4885CHIA 4059/4885

“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.