SCHEMBL10132384

SCHEMBL10132384

COCCN1C[C@H]2C[C@@]2(c2ccc(N3CCCCC3)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 3/20 0.43
BMPR1A P36894 3/20 0.43
TGFBR1 P36897 3/20 0.43
ACVRL1 P37023 3/20 0.43
ACVR1 Q04771 3/20 0.43
KCNH2 Q12809 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 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
SCHEMBL10132390 1.00 BMPR1B (0.43) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL10132368 1.00 BMPR1B (0.43) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL16215120 0.89 BMPR1B (0.43) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL10131044 0.89 BMPR1B (0.43) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL9951390 0.89 BMPR1B (0.43) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL2712940 0.89 BMPR1B (0.43) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL10132374 0.86 DRD2 (0.39) KCNH2SMN1; SMN2DRD2DRD3NPC1
SCHEMBL10132333 0.84 KCNH2 (0.47) KCNH2GAAMAPTSMN1; SMN2DRD2
SCHEMBL10130902 0.84 KCNH2 (0.47) KCNH2GAAMAPTSMN1; SMN2DRD2
SCHEMBL10132331 0.84 KCNH2 (0.47) KCNH2GAAMAPTSMN1; SMN2DRD2

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 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.