SCHEMBL10161185

SCHEMBL10161185

CN1CCC(c2ccc(N3CCOCC3)cc2)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.45
ALDH1A1 P00352 5/20 0.45
MAPT P10636 4/20 0.45
KDM4E B2RXH2 4/20 0.45
MEN1 O00255 3/20 0.45
HTT P42858 3/20 0.45
KMT2A Q03164 3/20 0.45
ALOX15 P16050 2/20 0.45
HSD17B10 Q99714 2/20 0.45
USP2 O75604 1/20 0.45
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.45
PRKDC P78527 2/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CYP1A2 P05177 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
SLC6A2 P23975 4/20 0.40
SLC6A4 P31645 4/20 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
SCHEMBL8038871 0.90 QDPR (0.47) GRM2ALDH1A1MAPTKDM4EMEN1
SCHEMBL10161161 0.87 SLC6A2 (0.49) ALDH1A1MAPTKDM4EMEN1HTT
SCHEMBL10161182 0.82 DRD2 (0.54)
SCHEMBL10162465 0.81 KMT2A (0.46) GRM2ALDH1A1MAPTKDM4EMEN1
SCHEMBL10163035 0.81 MAPT (0.46) MAPTKDM4EKMT2ARAB9ASLC6A2
SCHEMBL10162480 0.80 ALDH1A1 (0.42) GRM2ALDH1A1MAPTKDM4EMEN1
SCHEMBL10163039 0.79 L3MBTL3 (0.42) GRM2ALDH1A1MAPTKDM4EMEN1
SCHEMBL5165447 0.79 ALDH1A1 (0.50) GRM2ALDH1A1MAPTKDM4EMEN1
SCHEMBL10162647 0.79 KDM1A (0.42) GRM2ALDH1A1MAPTKDM4EMEN1
SCHEMBL10163606 0.78 PDE4B (0.50) ALDH1A1KDM4EPRKDCFAAH

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 GRM2 3660/4885ALDH1A1 295/4885MAPT 219/4885

“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.