SCHEMBL7654567

SCHEMBL7654567

CC(C)(C)OC(=O)N1CCC(Nc2cnccn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.61
ALDH1A1 P00352 2/20 0.54
NPC1 O15118 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NOS2 P35228 5/20 0.51
CCNA2 P20248 1/20 0.51
CDK2 P24941 1/20 0.51
SYK P43405 1/20 0.51
DYRK1A Q13627 1/20 0.49
JAK1 P23458 1/20 0.49
NOS1 P29475 4/20 0.49
NOS3 P29474 2/20 0.49
EPHX1 P07099 1/20 0.48

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
SCHEMBL13326847 0.93 GPR119 (0.56) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL13326838 0.93 GPR119 (0.56) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL13326536 0.93 GPR119 (0.56) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL27023071 0.85 GPR119 (0.61) GPR119NPC1RAB9A
SCHEMBL1087667 0.84 NOS2 (0.72) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL2196844 0.82 GPR119 (0.54) GPR119NPC1MAPTRAB9ACCNA2
SCHEMBL12322694 0.81 JAK2 (0.59) GPR119ALDH1A1CCNA2CDK2SYK
SCHEMBL3504310 0.81 ALDH1A1 (0.55) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL22404993 0.81 ALDH1A1 (0.52) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL595609 0.81 ALDH1A1 (0.57) GPR119ALDH1A1NPC1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713965-B2 7-substituted 3-carboxy-oxadiazino-quinolone derivatives, their preparation and their application as anti-bacterials VETOQUINOL SA (FR) 2010-05-11 US disclosed
US-7713965-B2 7-substituted 3-carboxy-oxadiazino-quinolone derivatives, their preparation and their application as anti-bacterials VETOQUINOL SA (FR) 2010-05-11 US disclosed
US-20090221565-A1 NOVEL 7-SUBSTITUTED 3-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS VETOQUINOL SA (FR) 2009-09-03 US disclosed
US-20090221565-A1 NOVEL 7-SUBSTITUTED 3-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS VETOQUINOL SA (FR) 2009-09-03 US disclosed
US-6498161-B1 TREATING INFECTION BY HIV; DELAYING OF THE ONSET OF AIDS; ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS OR RHEUMATOID ARTHRITIS MERCK & CO., INC. 2002-12-24 US disclosed
WO-2000059498-A1 PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2000-10-12 WO 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 (1 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-20090221565-A1 NOVEL 7-SUBSTITUTED 3-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS CBR3, CBR1, TECR GPR119 599/4885ALDH1A1 1998/4885NPC1 2143/4885

“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.