SCHEMBL10161209

SCHEMBL10161209

C=CCN1CCC(c2ccc(N3CCOCC3)cc2)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.41
GRM2 Q14416 1/20 0.41
DRD2 P14416 1/20 0.41
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
HTT P42858 3/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CYP1A2 P05177 1/20 0.37
PRKDC P78527 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
SIGMAR1 Q99720 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
ALOX15 P16050 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) GRM2DRD2MEN1ALDH1A1MAPT
SCHEMBL10161182 0.79 DRD2 (0.54) DRD3DRD2
SCHEMBL1546173 0.78 DRD2 (0.45) DRD3DRD2MAPTSIGMAR1KDM4E
SCHEMBL1546182 0.78 DRD2 (0.45) DRD3DRD2MAPTSIGMAR1KDM4E
SCHEMBL1546177 0.78 DRD2 (0.45) DRD3DRD2MAPTSIGMAR1KDM4E
SCHEMBL10163034 0.78 MAOA (0.44) GRM2DRD2MEN1ALDH1A1MAPT
SCHEMBL1546984 0.77 DRD2 (0.53) DRD3DRD2MEN1ALDH1A1MAPT
SCHEMBL1546980 0.77 DRD2 (0.53) DRD3DRD2MEN1ALDH1A1MAPT
SCHEMBL10162801 0.77 SIGMAR1 (0.55) MEN1ALDH1A1MAPTKMT2AGAA
Hydrochloric Acid SCHEMBL4200492 0.77 DRD2 (0.44) DRD3DRD2ALDH1A1KMT2AGAA

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 DRD3 594/4885GRM2 3660/4885DRD2 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.