SCHEMBL10162801

SCHEMBL10162801

c1ccc(CN2CCC(c3ccc(N4CCOCC4)cc3)C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.55
TMEM97 Q5BJF2 3/20 0.55
ADRA2A P08913 2/20 0.55
ADRA2B P18089 2/20 0.55
ADRA2C P18825 1/20 0.55
DRD4 P21917 3/20 0.52
HRH1 P35367 1/20 0.52
HTR2B P41595 1/20 0.52
CCR5 P51681 2/20 0.50
SLC18A3 Q16572 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ACHE P22303 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL22755777 0.82 MEN1 (0.68) SIGMAR1CCR5SLC18A3MEN1KMT2A
SCHEMBL6023725 0.82 MEN1 (0.68) SIGMAR1CCR5SLC18A3MEN1KMT2A
SCHEMBL3598146 0.82 MEN1 (0.68) SIGMAR1CCR5SLC18A3MEN1KMT2A
SCHEMBL10162465 0.80 KMT2A (0.46) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL6902946 0.80 MEN1 (0.74) SIGMAR1DRD4CCR5MEN1KMT2A
SCHEMBL25890035 0.79 ACHE (0.60) HRH1CCR5MEN1KMT2AACHE
SCHEMBL20148958 0.79 ACHE (0.60) SIGMAR1CCR5SLC18A3MEN1KMT2A
SCHEMBL10161182 0.78 DRD2 (0.54) DRD4
SCHEMBL8844209 0.77 MEN1 (0.57) SIGMAR1CCR5SLC18A3MEN1KMT2A
SCHEMBL10163034 0.77 MAOA (0.44) MEN1KMT2AKDM4EALDH1A1MAPT

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 SIGMAR1 815/4885TMEM97 4343/4885ADRA2A 327/4885

“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.