SCHEMBL10132389

SCHEMBL10132389

CC(=O)N1CC2CC2(c2ccc(N3CCCCC3)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.43
CYP3A4 P08684 4/20 0.43
CYP1A2 P05177 3/20 0.43
GFER P55789 2/20 0.43
ALDH1A1 P00352 6/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
CASP6 P55212 1/20 0.40
MGLL Q99685 2/20 0.40
HIF1A Q16665 2/20 0.40
USP2 O75604 3/20 0.39
CYP2C9 P11712 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL10131046 0.89 MGLL (0.42) GFERALDH1A1MAPTKDM4ECASP6
SCHEMBL10132399 0.86 MGLL (0.39) CYP2C19CYP3A4CYP1A2GFERALDH1A1
SCHEMBL10132386 0.84 MAPT (0.47) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL10132382 0.83 GPR119 (0.46) ALDH1A1MAPTMGLLHPGD
SCHEMBL2728583 0.82 GPR119 (0.47) CYP2C19ALDH1A1MEN1KMT2AMAPT
SCHEMBL11612351 0.81 MGLL (0.45) MGLL
SCHEMBL11617078 0.81 MGLL (0.56) KMT2AMGLLSMN1; SMN2
SCHEMBL11084130 0.80 MGLL (0.44) GFERCASP6MGLL
SCHEMBL10132341 0.80 SLC6A4 (0.45) CYP2C19CYP3A4CYP1A2CYP2C9
SCHEMBL11086851 0.80 MGLL (0.44) ALDH1A1MGLLHPGD

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 CYP2C19 27/4885CYP3A4 3/4885CYP1A2 12/4885

“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.