SCHEMBL10132401

SCHEMBL10132401

c1cc(C23CC2CN(C2CC2)C3)ccc1N1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 11/20 0.45
L3MBTL1 Q9Y468 11/20 0.45
MBTD1 Q05BQ5 3/20 0.39
BMPR1B O00238 6/20 0.36
BMPR1A P36894 6/20 0.36
TGFBR1 P36897 6/20 0.36
ACVRL1 P37023 6/20 0.36
ACVR1 Q04771 6/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 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
SCHEMBL10131065 0.88 BMPR1B (0.41) L3MBTL3L3MBTL1BMPR1BBMPR1ATGFBR1
SCHEMBL10132341 0.80 SLC6A4 (0.45)
SCHEMBL10132396 0.79 L3MBTL1 (0.40) L3MBTL3L3MBTL1MBTD1KDM4EMEN1
SCHEMBL10130842 0.78 SLC6A4 (0.46)
SCHEMBL27157706 0.78 BMPR1B (0.37) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL10132376 0.77 SCN1A (0.38) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL10132333 0.77 KCNH2 (0.47) KDM4EGAAMAPTHTT
SCHEMBL10130902 0.77 KCNH2 (0.47) KDM4EGAAMAPTHTT
SCHEMBL10132331 0.77 KCNH2 (0.47) KDM4EGAAMAPTHTT
SCHEMBL10132364 0.77 BMPR1B (0.39) L3MBTL1BMPR1BBMPR1ATGFBR1ACVRL1

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 L3MBTL3 4768/4885L3MBTL1 4793/4885MBTD1 3735/4885

“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.