SCHEMBL10163039

SCHEMBL10163039

c1cc(N2CCOCC2)ccc1C1CCN(C2CC2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GRM2 Q14416 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
RAB9A P51151 1/20 0.41
CHIT1 Q13231 1/20 0.41
CHIA Q9BZP6 1/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL10161185 0.79 GRM2 (0.45) GRM2MEN1ALDH1A1MAPTHTT
SCHEMBL5165447 0.78 ALDH1A1 (0.50) GRM2HRH3MEN1ALDH1A1MAPT
SCHEMBL10162465 0.77 KMT2A (0.46) GRM2HRH3MEN1ALDH1A1MAPT
SCHEMBL10162480 0.76 ALDH1A1 (0.42) GRM2HRH3MEN1ALDH1A1MAPT
SCHEMBL8038871 0.76 QDPR (0.47) GRM2MEN1ALDH1A1MAPTHTT
SCHEMBL20842189 0.75 SLC18A3 (0.53) MEN1ALDH1A1MAPTHTTKMT2A
SCHEMBL10161182 0.75 DRD2 (0.54)
SCHEMBL10163606 0.74 PDE4B (0.50) ALDH1A1KDM4EPRKDCFAAH
SCHEMBL10161209 0.74 DRD3 (0.41) GRM2MEN1ALDH1A1MAPTHTT
SCHEMBL10163034 0.74 MAOA (0.44) GRM2MEN1ALDH1A1MAPTHTT

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 L3MBTL3 4768/4885L3MBTL1 4793/4885GRM2 3660/4885

“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.