SCHEMBL2712940

SCHEMBL2712940

COCCN1CC2CC2(c2ccc(N3CCOCC3)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 8/20 0.43
BMPR1A P36894 8/20 0.43
TGFBR1 P36897 8/20 0.43
ACVRL1 P37023 8/20 0.43
ACVR1 Q04771 8/20 0.43
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
KCNH2 Q12809 1/20 0.37
TLR9 Q9NR96 1/20 0.36

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
SCHEMBL9951390 1.00 BMPR1B (0.43) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL10131044 1.00 BMPR1B (0.43) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL16215120 1.00 BMPR1B (0.43) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL10132390 0.89 BMPR1B (0.43) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL10132368 0.89 BMPR1B (0.43) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL10132384 0.89 BMPR1B (0.43) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL10131058 0.87 BMPR1B (0.41) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL16281069 0.84 BMPR1B (0.41) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL10130975 0.84 KCNH2 (0.46) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL10130965 0.84 KCNH2 (0.46) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1

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
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
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 BMPR1B 942/4885BMPR1A 1434/4885TGFBR1 2103/4885

“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.