SCHEMBL10163034

SCHEMBL10163034

C#CCN1CCC(c2ccc(N3CCOCC3)cc2)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.44
MAOB P27338 3/20 0.44
DRD2 P14416 1/20 0.41
GRM2 Q14416 1/20 0.41
FAAH O00519 2/20 0.38
USP30 Q70CQ3 1/20 0.37
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 3/20 0.37
MAPT P10636 3/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HTT P42858 2/20 0.37
CYP1A2 P05177 1/20 0.37
PRKDC P78527 2/20 0.37
LGMN Q99538 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL10162465 0.81 KMT2A (0.46) DRD2GRM2ALDH1A1MEN1MAPT
SCHEMBL10161182 0.79 DRD2 (0.54) DRD2
SCHEMBL10161209 0.78 DRD3 (0.41) DRD2GRM2FAAHALDH1A1MEN1
SCHEMBL10162801 0.77 SIGMAR1 (0.55) ALDH1A1MEN1MAPTKMT2AKDM4E
SCHEMBL10162647 0.76 KDM1A (0.42) DRD2GRM2FAAHALDH1A1MEN1
SCHEMBL10161185 0.75 GRM2 (0.45) GRM2FAAHALDH1A1MEN1MAPT
SCHEMBL10163039 0.74 L3MBTL3 (0.42) GRM2FAAHALDH1A1MEN1MAPT
SCHEMBL5165447 0.73 ALDH1A1 (0.50) GRM2FAAHALDH1A1MEN1MAPT
SCHEMBL10161167 0.72 KMT2A (0.43) DRD2MAPTKMT2AKDM4E
SCHEMBL10162480 0.71 ALDH1A1 (0.42) DRD2GRM2ALDH1A1MEN1MAPT

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 MAOA 673/4885MAOB 227/4885DRD2 834/4885

“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.