SCHEMBL10132396

SCHEMBL10132396

c1ccc(N2CC3CC3(c3ccc(N4CCCCC4)cc3)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.40
MBTD1 Q05BQ5 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
ALDH1A1 P00352 6/20 0.39
MAPT P10636 4/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
TP53 P04637 3/20 0.39
LMNA P02545 3/20 0.39
TSHR P16473 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
STAT1 P42224 1/20 0.39
GFER P55789 1/20 0.37
PKM P14618 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37

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
SCHEMBL10131072 0.87 LMNA (0.51) L3MBTL1ALDH1A1MAPTNPC1RAB9A
SCHEMBL11472775 0.86 EIF2AK4 (0.41) ALDH1A1LMNATSHREIF2AK4SLC6A2
SCHEMBL10132394 0.82 PTGS2 (0.46)
SCHEMBL10132341 0.81 SLC6A4 (0.45) CYP3A4CYP2D6CYP2C19SLC6A2SLC6A4
SCHEMBL10130842 0.79 SLC6A4 (0.46) CYP3A4CYP2D6CYP2C19SLC6A2SLC6A4
SCHEMBL10132401 0.79 L3MBTL3 (0.45) L3MBTL1MBTD1L3MBTL3ALDH1A1MAPT
SCHEMBL10130902 0.78 KCNH2 (0.47) MAPTSMN1; SMN2GFERHTTKDM4E
SCHEMBL10132364 0.78 BMPR1B (0.39) L3MBTL1ALDH1A1MAPTNPC1RAB9A
SCHEMBL10132333 0.78 KCNH2 (0.47) MAPTSMN1; SMN2GFERHTTKDM4E
SCHEMBL10132331 0.78 KCNH2 (0.47) MAPTSMN1; SMN2GFERHTTKDM4E

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

“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.