SCHEMBL6490794

SCHEMBL6490794

O[C@@]1(c2cccnc2)C[C@H]2CC[C@@H](C1)N2Cc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.74
HSD17B10 Q99714 1/20 0.74
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
OPRM1 P35372 1/20 0.58
OPRL1 P41146 1/20 0.58
GAA P10253 1/20 0.54
NPSR1 Q6W5P4 1/20 0.52
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
USP2 O75604 1/20 0.49
HTT P42858 2/20 0.49
DRD2 P14416 3/20 0.49
DRD4 P21917 3/20 0.49
DRD3 P35462 2/20 0.49
LMNA P02545 1/20 0.48
KDM4E B2RXH2 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
SCHEMBL6490798 1.00 ALDH1A1 (0.74) ALDH1A1HSD17B10MEN1KMT2AOPRM1
SCHEMBL7216207 0.95 ALDH1A1 (0.69) ALDH1A1HSD17B10MEN1KMT2AOPRM1
SCHEMBL7216204 0.95 ALDH1A1 (0.69) ALDH1A1HSD17B10MEN1KMT2AOPRM1
SCHEMBL1513400 0.86 DRD2 (0.62) ALDH1A1HSD17B10OPRM1OPRL1DRD2
SCHEMBL7222128 0.81 ALDH1A1 (0.53) ALDH1A1HSD17B10MEN1KMT2AOPRM1
SCHEMBL2590886 0.81 ALDH1A1 (0.53) ALDH1A1HSD17B10MEN1KMT2AOPRM1
SCHEMBL4811473 0.79 OPRM1 (0.54) ALDH1A1HSD17B10OPRM1OPRL1DRD2
SCHEMBL9911015 0.79 DRD2 (0.76) DRD2DRD4DRD3
SCHEMBL6491624 0.78 ALDH1A1 (0.62) ALDH1A1HSD17B10MEN1KMT2AOPRM1
SCHEMBL6491621 0.78 ALDH1A1 (0.62) ALDH1A1HSD17B10MEN1KMT2AOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6964972-B2 8-Azabicyclo(3,2,1)oct-2 ene and octane derivatives as cholinergic ligands at nicotinic ACh receptors NEUROSEARCH A/S (DK) 2005-11-15 US disclosed
EP-0984965-B1 8-AZABICYCLO(3,2,1)OCT-2-ENE AND OCTANE DERIVATIVES AS CHOLINERGIC LIGANDS AT NICOTINIC ACH RECEPTORS NEUROSEARCH AS (DK) 2004-05-19 EP disclosed
US-20040019207-A1 Amines such as 8-Benzyl-3-(3-pyridyl)-8-azabicyclo(3.2.1) oct-2-ene, that bind to nicotinic acetocholine receptors, used for prophylaxis of nervous system disorders, as analgesis, antiinflammatory agents and drug abuse NEUROSEARCH A/S 2004-01-29 US disclosed
US-6645977-B1 Amines such as 8-Methyl-3-(3-pyridyl)-8-azabicyclo(3.2.1)-oct-2-ene, administered to humans or animals for prophylaxis of drug abuse or drug dependence NEUROSEARCH A/S (DK) 2003-11-11 US disclosed
EP-0984965-A1 8-AZABICYCLO(3,2,1)OCT-2-ENE AND OCTANE DERIVATIVES AS CHOLINERGIC LIGANDS AT NICOTINIC ACH RECEPTORS NEUROSEARCH A/S (DK) 2000-03-15 EP disclosed
WO-1998054181-A1 8-AZABICYCLO(3,2,1)OCT-2-ENE AND OCTANE DERIVATIVES AS CHOLINERGIC LIGANDS AT NICOTINIC ACH RECEPTORS NEUROSEARCH A/S (DK) 1998-12-03 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-20040019207-A1 Amines such as 8-Benzyl-3-(3-pyridyl)-8-azabicyclo(3.2.1) oct-2-ene, that bind to nicotinic acetocholine receptors, used for prophylaxis of nervous system disorders, as analgesis, antiinflammatory agents and drug abuse OPRL1, OPRK1, OPRM1 ALDH1A1 627/4885HSD17B10 2520/4885MEN1 4860/4885

“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.