SCHEMBL10163606

SCHEMBL10163606

CC(=O)N1CCC(c2ccc(N3CCOCC3)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.50
FAAH O00519 2/20 0.48
QDPR P09417 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TACR2 P21452 1/20 0.45
PRKDC P78527 1/20 0.45
KDM4E B2RXH2 1/20 0.44
AKT1 P31749 1/20 0.43
PIK3CA P42336 1/20 0.43
MTOR P42345 1/20 0.43
AKR1C3 P42330 1/20 0.43
HSD11B1 P28845 1/20 0.43
CASP6 P55212 1/20 0.43
GFER P55789 1/20 0.43
GAA P10253 1/20 0.43
EPHX2 P34913 1/20 0.43
DGAT1 O75907 1/20 0.43
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 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
SCHEMBL10163045 0.83 PDE4B (0.55) PDE4BFAAHALDH1A1KDM4EGAA
SCHEMBL10162809 0.82 GPR119 (0.58) PDE4BFAAH
SCHEMBL10161185 0.78 GRM2 (0.45) FAAHALDH1A1PRKDCKDM4E
SCHEMBL15300933 0.78 KDM1A (0.53) PDE4BQDPRALDH1A1GAAPRKAB2
SCHEMBL19493962 0.77 RAB9A (0.63) ALDH1A1HSD11B1
SCHEMBL1197270 0.77 RAB9A (0.63) ALDH1A1HSD11B1
SCHEMBL10162465 0.75 KMT2A (0.46) ALDH1A1PRKDCKDM4EGFERGAA
SCHEMBL20805979 0.75 ALDH1A1 (0.61) PDE4BQDPRALDH1A1HSD11B1
SCHEMBL26772714 0.75 RAB9A (0.54) PDE4BQDPRALDH1A1PRKAB2PRKAG1
SCHEMBL17518792 0.75 SLC18A3 (0.52) PDE4BFAAHQDPRALDH1A1PRKAB2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PDE4B 450/4885FAAH 2004/4885QDPR 623/4885

“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.