SCHEMBL3223091

SCHEMBL3223091

O[C@@]1(Oc2ccccc2)CC2CCN1CC2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.38
HTR3A P46098 1/20 0.38
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
OPRK1 P41145 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL8691842 0.66 SIGMAR1 (0.43) SLC6A2SLC6A3SIGMAR1
SCHEMBL4374764 0.66 SLC6A4 (0.33) CHRNA7HTR3AGAAALDH1A1RAB9A
SCHEMBL7169197 0.63 SIGMAR1 (0.41) OPRK1SIGMAR1
SCHEMBL29474786 0.61 LMNA (0.41) SMN1; SMN2ALDH1A1TSHROPRK1
SCHEMBL27515695 0.60 ELANE (0.59) CHRNA7HTR3AGAASMN1; SMN2ALDH1A1
SCHEMBL14461076 0.60 ALOX5AP (0.38) CYP3A4CYP2C19SLC6A2SLC6A3
SCHEMBL14311166 0.60 CYP2C9 (0.44) CHRNA7GAAALDH1A1CYP2C19
SCHEMBL13875064 0.58 CA4 (0.39) GAATSHRSLC6A2SLC6A3
SCHEMBL9469117 0.57 SLC6A2 (0.43) CHRNA7HTR3AGAASMN1; SMN2ALDH1A1
SCHEMBL3390481 0.57

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056565-A1 Heterocyclic Derivatives as M3 Muscarinic Receptors ARGENTA DISCOVERY LIMITED (GB) 2010-03-04 US disclosed
EP-2121688-A1 HETEROCYCLIC DERIVATIVES AS M3 MUSCARINIC RECEPTORS Argenta Discovery Ltd (GB) 2009-11-25 EP disclosed
WO-2008099186-A1 HETEROCYCLIC DERIVATIVES AS M3 MUSCARINIC RECEPTORS ARGENTA DISCOVERY LIMITED (GB) 2008-08-21 WO 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-20100056565-A1 Heterocyclic Derivatives as M3 Muscarinic Receptors CHRM2, CHRM3, CHRM1 CHRNA7 13/4885HTR3A 195/4885GAA 3872/4885

“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.