SCHEMBL10131034

SCHEMBL10131034

c1cc([C@@]23C[C@@H]2CN(CC2CC2)C3)ccc1N1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.40
BMPR1B O00238 7/20 0.38
BMPR1A P36894 7/20 0.38
TGFBR1 P36897 7/20 0.38
ACVRL1 P37023 7/20 0.38
ACVR1 Q04771 7/20 0.38
OPRD1 P41143 1/20 0.38
SCN1A P35498 1/20 0.37
SCN4A P35499 1/20 0.37
SCN7A Q01118 1/20 0.37
KCNH2 Q12809 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
SCN11A Q9UI33 1/20 0.37
SCN8A Q9UQD0 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
GRM2 Q14416 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
SCHEMBL10132376 0.89 SCN1A (0.38) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL10130965 0.85 KCNH2 (0.46) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL9950595 0.85 KCNH2 (0.46) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL10130975 0.85 KCNH2 (0.46) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL16281069 0.82 BMPR1B (0.41) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL10131058 0.82 BMPR1B (0.41) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL10131066 0.81 BMPR1B (0.41) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL2715051 0.81 BMPR1B (0.41) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL10131063 0.81 DRD3 (0.48) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL10131099 0.81 SIGMAR1 (0.53)

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 5 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
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 PRKDC 2560/4885BMPR1B 942/4885BMPR1A 1434/4885

“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.