SCHEMBL10130957

SCHEMBL10130957

CCN1CC2CC2(c2ccc(N3CCN(C(=O)CCc4ccccc4)CC3)cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ME2 P23368 2/20 0.55
ME1 P48163 2/20 0.55
ME3 Q16798 2/20 0.55
MAPT P10636 3/20 0.54
KMT2A Q03164 2/20 0.54
GFER P55789 1/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 2/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
FKBP1A P62942 1/20 0.44
NPC1 O15118 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTR7 P34969 3/20 0.43
TSHR P16473 1/20 0.43
HTR1A P08908 1/20 0.43

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
SCHEMBL10130949 0.88 MAPT (0.49) MAPTKMT2AMEN1SMN1; SMN2POLB
SCHEMBL10130954 0.84 TMEM97 (0.51) MAPTKMT2AMEN1SMN1; SMN2NPSR1
SCHEMBL9951699 0.83 CHRNA7 (0.53) MAPTGFERSMN1; SMN2CYP2C19
SCHEMBL10132306 0.80 MAPT (0.54) MAPTKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL10130944 0.80 TDP1 (0.50) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL10130955 0.79 ME2 (0.58) ME2ME1ME3MAPTKMT2A
SCHEMBL10130940 0.79 GAA (0.49) MAPTKMT2AGFERSMN1; SMN2CYP2C19
SCHEMBL10132302 0.77 LMNA (0.52) MAPTALDH1A1SMN1; SMN2HTTNPC1
SCHEMBL10130922 0.77 DRD2 (0.41) POLB
SCHEMBL10130834 0.76 KCNH2 (0.47) MAPTGFERSMN1; SMN2CYP2C19

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 ME2 3566/4885ME1 2647/4885ME3 3100/4885

“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.