SCHEMBL10132371

SCHEMBL10132371

C=CCN1CC2CC2(c2ccc(N3CCCCC3)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.48
DRD3 P35462 2/20 0.48
KCNH2 Q12809 2/20 0.48
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL10131063 0.89 DRD3 (0.48) DRD2DRD3KCNH2ALDH1A1OPRM1
SCHEMBL10132331 0.83 KCNH2 (0.47) DRD2DRD3KCNH2KDM4ESMN1; SMN2
SCHEMBL10130902 0.83 KCNH2 (0.47) DRD2DRD3KCNH2KDM4ESMN1; SMN2
SCHEMBL10132333 0.83 KCNH2 (0.47) DRD2DRD3KCNH2KDM4ESMN1; SMN2
SCHEMBL10130862 0.82 KCNH2 (0.47) DRD2DRD3KCNH2KDM4ESMN1; SMN2
SCHEMBL10130859 0.82 KCNH2 (0.47) DRD2DRD3KCNH2KDM4ESMN1; SMN2
SCHEMBL10130858 0.82 KCNH2 (0.47) DRD2DRD3KCNH2KDM4ESMN1; SMN2
SCHEMBL10132376 0.81 SCN1A (0.38) KCNH2OPRM1OPRD1OPRK1
SCHEMBL10132374 0.81 DRD2 (0.39) DRD2DRD3KCNH2SMN1; SMN2
SCHEMBL13957668 0.80 DRD2 (0.55) DRD2DRD3KCNH2OPRM1OPRD1

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 2 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-20120165320-A1 NOVEL AZABICYCLOHEXANES PANACEA BIOTEC LTD. (IN) 2012-06-28 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-20120165320-A1 NOVEL AZABICYCLOHEXANES CYP3A43, UGT1A1, CYP3A4 DRD2 834/4885DRD3 594/4885KCNH2 2683/4885

“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.