SCHEMBL2728941

SCHEMBL2728941

CCN1CCN(c2ccc(C34CNCC3C4)cc2)CCC1=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.49
SLC6A2 P23975 8/20 0.49
SLC6A4 P31645 8/20 0.49
SLC6A3 Q01959 8/20 0.49
DRD3 P35462 7/20 0.44
DRD2 P14416 6/20 0.44
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
Hydrochloric Acid SCHEMBL2728070 0.99 KCNH2 (0.48) KCNH2SLC6A2SLC6A4SLC6A3DRD3
SCHEMBL10130963 0.91 SLC6A2 (0.49) KCNH2SLC6A2SLC6A4SLC6A3DRD3
SCHEMBL10130930 0.82 SLC6A2 (0.55) KCNH2SLC6A2SLC6A4SLC6A3DRD3
SCHEMBL10132269 0.80 SLC6A2 (0.55) KCNH2SLC6A2SLC6A4SLC6A3DRD3
SCHEMBL2725801 0.79 SLC6A2 (0.56) KCNH2SLC6A2SLC6A4SLC6A3DRD3
SCHEMBL10130840 0.78 SLC6A2 (0.59) KCNH2SLC6A2SLC6A4SLC6A3DRD3
SCHEMBL9951487 0.78 SLC6A2 (0.59) KCNH2SLC6A2SLC6A4SLC6A3DRD3
SCHEMBL10130838 0.78 SLC6A2 (0.59) KCNH2SLC6A2SLC6A4SLC6A3DRD3
SCHEMBL10130948 0.77 MAPT (0.50) KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL10130904 0.77 SLC6A2 (0.58) KCNH2SLC6A2SLC6A4SLC6A3DRD3

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 10 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
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
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
US-20120165320-A1 NOVEL AZABICYCLOHEXANES PANACEA BIOTEC LTD. (IN) 2012-06-28 US disclosed
US-20120165320-A1 NOVEL AZABICYCLOHEXANES PANACEA BIOTEC LTD. (IN) 2012-06-28 US disclosed
EP-2445887-A2 NOVEL AZABICYCLOHEXANES Panacea Biotec Limited (IN) 2012-05-02 EP 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 KCNH2 2683/4885SLC6A2 467/4885SLC6A4 544/4885

“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.