SCHEMBL10130879

SCHEMBL10130879

O=C1NCCN1c1ccc(C23CNCC2C3)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.54
SLC6A4 P31645 8/20 0.54
SLC6A3 Q01959 8/20 0.54
KCNH2 Q12809 2/20 0.54
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
DRD2 P14416 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
SCHEMBL10130938 0.84 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL2714710 0.80 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL10130882 0.78 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL10132280 0.78 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL10130888 0.78 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL10130891 0.78 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL10130934 0.78 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL10130838 0.77 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL10130840 0.77 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2
SCHEMBL9951487 0.77 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3KCNH2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906913-B2 Azabicyclohexanes PANACEA BIOTEC LIMITED (IN) 2014-12-09 US disclosed
US-8906913-B2 Azabicyclohexanes PANACEA BIOTEC LIMITED (IN) 2014-12-09 US disclosed
EP-2445887-B1 NOVEL AZABICYCLOHEXANES PANACEA BIOTEC LTD (IN) 2014-11-05 EP disclosed
US-20120165320-A1 NOVEL AZABICYCLOHEXANES PANACEA BIOTEC LTD. (IN) 2012-06-28 US disclosed
WO-2010150281-A2 NOVEL AZABICYCLOHEXANES PANACEA BIOTEC LTD. (IN) 2010-12-29 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-20120165320-A1 NOVEL AZABICYCLOHEXANES CYP3A43, UGT1A1, CYP3A4 SLC6A2 467/4885SLC6A4 544/4885SLC6A3 498/4885

“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.