SCHEMBL10132341

SCHEMBL10132341

CN1CC2CC2(c2ccc(N3CCCCC3)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.45
SLC6A2 P23975 8/20 0.44
SLC6A3 Q01959 8/20 0.44
KCNH2 Q12809 3/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
CYP2D6 P10635 4/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL10130842 0.98 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3KCNH2DRD2
SCHEMBL16215124 0.87 DRD2 (0.43) SLC6A4SLC6A2SLC6A3KCNH2DRD2
SCHEMBL10130983 0.87 DRD2 (0.43) SLC6A4SLC6A2SLC6A3KCNH2DRD2
SCHEMBL10132374 0.82 DRD2 (0.39) KCNH2DRD2DRD3
SCHEMBL10132333 0.82 KCNH2 (0.47) SLC6A4SLC6A2SLC6A3KCNH2DRD2
SCHEMBL10132331 0.82 KCNH2 (0.47) SLC6A4SLC6A2SLC6A3KCNH2DRD2
SCHEMBL10132364 0.82 BMPR1B (0.39) KCNH2DRD2DRD3
SCHEMBL10130902 0.82 KCNH2 (0.47) SLC6A4SLC6A2SLC6A3KCNH2DRD2
SCHEMBL10132396 0.81 L3MBTL1 (0.40) SLC6A4SLC6A2SLC6A3CYP2D6CYP2C19
SCHEMBL10131009 0.80 MAPT (0.43) SLC6A4SLC6A2SLC6A3KCNH2DRD2

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 SLC6A4 544/4885SLC6A2 467/4885SLC6A3 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.