SCHEMBL523500

SCHEMBL523500

CC(C)(C)OC(=O)NC1C2CN(C(=O)OCc3ccccc3)CC21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.54
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HTT P42858 1/20 0.47
SYK P43405 1/20 0.46
CTSL P07711 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
HTR2C P28335 1/20 0.43
PARP1 P09874 1/20 0.43
CHRM4 P08173 1/20 0.43
GRIN2B Q13224 1/20 0.42

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
SCHEMBL12527110 1.00 PDE4B (0.54) PDE4BKMT2AL3MBTL1SMN1; SMN2NPC1
SCHEMBL523499 1.00 PDE4B (0.54) PDE4BKMT2AL3MBTL1SMN1; SMN2NPC1
SCHEMBL523841 1.00 PDE4B (0.54) PDE4BKMT2AL3MBTL1SMN1; SMN2NPC1
SCHEMBL3547026 1.00 PDE4B (0.54) PDE4BKMT2AL3MBTL1SMN1; SMN2NPC1
SCHEMBL9186129 0.92 SMN1; SMN2 (0.51) PDE4BKMT2AL3MBTL1SMN1; SMN2NPC1
SCHEMBL9186123 0.92 SMN1; SMN2 (0.51) PDE4BKMT2AL3MBTL1SMN1; SMN2NPC1
SCHEMBL5744757 0.91 PDE4B (0.52) PDE4BKMT2AL3MBTL1SMN1; SMN2NPC1
SCHEMBL5744759 0.91 PDE4B (0.52) PDE4BKMT2AL3MBTL1SMN1; SMN2NPC1
SCHEMBL5744756 0.91 PDE4B (0.52) PDE4BKMT2AL3MBTL1SMN1; SMN2NPC1
SCHEMBL21551304 0.91 ALDH1A1 (0.46) PDE4BKMT2ASMN1; SMN2SYKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417128-B1 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES AS ADP RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-03-02 EP disclosed
US-8288385-B2 6-(3-aza-bicyclo[3.1.0]hex-3-yl)-2-phenyl-pyrimidines ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US disclosed
US-20120028989-A1 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2012-02-02 US disclosed
US-20090131430-A1 PYRIDO'2,3-DIPYRIMIDINES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2009-05-21 US disclosed
EP-1831215-A1 PYRIDO[2,3-D]PYRIMIDINES AS ANTI-INFLAMATORY AGENTS Ranbaxy Laboratories Limited (IN) 2007-09-12 EP disclosed
WO-2006056863-A1 PYRIDO’2, 3-D!PYRIMIDINES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-06-01 WO disclosed
US-5623078-A Process for producing an intermediate of a new quinolone compound CHISSO CORPORATION (JP) 1997-04-22 US disclosed
EP-0413455-B1 Azabicyclo quinolone carboxylic acids PFIZER (US) 1995-06-21 EP disclosed
US-5391763-A 3-aza-bicyclo[3.1.0]hexanes which are intermediates for anti-bacterial azabicyclo quinolone carboxylic acids PFIZER INC. (US) 1995-02-21 US disclosed
US-5266569-A Azatricyclo carboxylic acids useful as anti-bacterial agents PFIZER INC. (US) 1993-11-30 US disclosed
US-5229396-A Anti-bacterial azabicyclo quinolone carboxylic acids PFIZER INC. (US) 1993-07-20 US disclosed
US-5164402-A Bactericides PFIZER INC (US) 1992-11-17 US disclosed
WO-1991002526-A1 AZABICYCLO QUINOLONE CARBOXYLIC ACIDS PFIZER INC. (US) 1991-03-07 WO disclosed
EP-0413455-A2 Azabicyclo quinolone carboxylic acids PFIZER INC. (US) 1991-02-20 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-20120028989-A1 6-(3-AZA-BICYCLO[3.1.0]HEX-3-YL)-2-PHENYL-PYRIMIDINES P2RY12, P2RY13, P2RY6 PDE4B 594/4885KMT2A 3240/4885L3MBTL1 3111/4885
US-20090131430-A1 PYRIDO'2,3-DIPYRIMIDINES AS ANTI-INFLAMMATORY AGENTS TLR1, TPMT, NOD1 PDE4B 255/4885KMT2A 3310/4885L3MBTL1 2577/4885

“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.