SCHEMBL10072964

SCHEMBL10072964

CN1CCN(c2ccc(=O)[nH]n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OGA O60502 2/20 0.50
HRH3 Q9Y5N1 4/20 0.45
POLB P06746 1/20 0.44
HTR3E A5X5Y0 4/20 0.44
HTR3B O95264 4/20 0.44
HTR3A P46098 4/20 0.44
HTR3D Q70Z44 4/20 0.44
HTR3C Q8WXA8 4/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
THPO P40225 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
PARP1 P09874 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL31514107 0.83 HRH3 (0.48) OGAHRH3POLBKDM4EALDH1A1
SCHEMBL3635646 0.80 BPTF (0.47) OGAHRH3HTR3EHTR3BHTR3A
SCHEMBL21626550 0.79 HRH3 (0.52) OGAHRH3POLBKDM4EALDH1A1
Hydrochloric Acid SCHEMBL3095897 0.79 BPTF (0.46) OGAHRH3HTR3EHTR3BHTR3A
SCHEMBL29214647 0.79 GAA (0.54) OGAHRH3POLBALDH1A1CYP1A2
SCHEMBL15548336 0.76 HRH3 (0.54) OGAHRH3ALDH1A1
SCHEMBL9312039 0.76 ADRB1 (0.51) OGAALDH1A1DRD2DRD4
SCHEMBL3098745 0.74 HRH3 (0.56) HRH3POLBKDM4EALDH1A1
SCHEMBL4890873 0.72 LMNA (0.55) OGAHRH3POLBKDM4E
SCHEMBL18592791 0.72 HTR3A (0.46) HRH3HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2310395-B1 9-SUBSTITUTED-B-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS VETOQUINOL SA (FR) 2012-01-18 EP disclosed
US-8071590-B2 9-substituted-5-carboxy-oxadiazino-quinolone derivatives, their preparation and their application as anti-bacterials VETOQUINOL SA (FR) 2011-12-06 US disclosed
US-20100009980-A1 NOVEL 9-SUBSTITUTED-5-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS VETOQUINOL SA (FR) 2010-01-14 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 (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-20100009980-A1 NOVEL 9-SUBSTITUTED-5-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS Q6ZSR9, NQO2, RECQL OGA 2281/4885HRH3 148/4885POLB 486/4885

“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.