SCHEMBL10131063

SCHEMBL10131063

C=CCN1CC2CC2(c2ccc(N3CCOCC3)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.48
DRD2 P14416 1/20 0.48
KCNH2 Q12809 1/20 0.48
BMPR1B O00238 5/20 0.36
BMPR1A P36894 5/20 0.36
TGFBR1 P36897 5/20 0.36
ACVRL1 P37023 5/20 0.36
ACVR1 Q04771 5/20 0.36
MEN1 O00255 2/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 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
SCHEMBL10132371 0.89 DRD2 (0.48) DRD3DRD2KCNH2ALDH1A1OPRM1
SCHEMBL10130975 0.84 KCNH2 (0.46) DRD3DRD2KCNH2BMPR1BBMPR1A
SCHEMBL9950595 0.84 KCNH2 (0.46) DRD3DRD2KCNH2BMPR1BBMPR1A
SCHEMBL10130965 0.84 KCNH2 (0.46) DRD3DRD2KCNH2BMPR1BBMPR1A
SCHEMBL16281069 0.81 BMPR1B (0.41) DRD3DRD2KCNH2BMPR1BBMPR1A
SCHEMBL10131034 0.81 PRKDC (0.40) KCNH2BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL10131058 0.81 BMPR1B (0.41) DRD3DRD2KCNH2BMPR1BBMPR1A
SCHEMBL10131066 0.81 BMPR1B (0.41) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL2715051 0.81 BMPR1B (0.41) DRD3DRD2KCNH2BMPR1BBMPR1A
SCHEMBL10131099 0.80 SIGMAR1 (0.53) ALDH1A1MAPTGAA

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 4 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

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 DRD3 594/4885DRD2 834/4885KCNH2 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.