SCHEMBL4851968

SCHEMBL4851968

CCCCN1C2CCC1CC(N)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.43
SLC6A2 P23975 2/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
CHRM1 P11229 1/20 0.43
SLC6A4 P31645 1/20 0.43
MEN1 O00255 1/20 0.42
GMNN O75496 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
THPO P40225 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
OPRM1 P35372 2/20 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
SCHEMBL24456344 0.87 ALDH1A1 (0.43) SLC6A3SLC6A2DRD2DRD4DRD3
SCHEMBL2883737 0.87 SLC6A3 (0.47) SLC6A3SLC6A2DRD2DRD4DRD3
SCHEMBL8714043 0.82 SLC6A3 (0.35) SLC6A3SLC6A2DRD2DRD4DRD3
SCHEMBL8714046 0.82 SLC6A3 (0.35) SLC6A3SLC6A2DRD2DRD4DRD3
SCHEMBL27292950 0.81 SLC6A3 (0.44) SLC6A3SLC6A2DRD2DRD4DRD3
SCHEMBL7799394 0.79 OPRM1 (0.31) OPRM1OPRD1
SCHEMBL24087139 0.79 LMNA (0.52) SLC6A3SLC6A2DRD2DRD4DRD3
SCHEMBL7808200 0.79 OPRM1 (0.31) OPRM1OPRD1
SCHEMBL2886888 0.78 ALDH1A1 (0.47) SLC6A3SLC6A2DRD2DRD4DRD3
SCHEMBL29346797 0.78 GNAI3 (0.32) GNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456192-B2 3β-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof PIERRE FABRE MEDICAMENT (FR) 2008-11-25 US disclosed
EP-1440075-B1 NOVEL 3BETA-AMINO AZABICYCLOOCTANE HETEROAROMATIC AMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USES THEREOF PF MEDICAMENT (FR) 2005-06-08 EP disclosed
US-20050080085-A1 Novel 3beta-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof PIERRE FABRE MEDICAMENT (FR) 2005-04-14 US disclosed
US-4705858-A ANTIEMETICS, DOPAMINE ANTAGONIST BEECHAM GROUP P.L.C. (GB) 1987-11-10 US disclosed
EP-0220339-A1 Azabicycloalkyl derivatives BEECHAM GROUP PLC (GB) 1987-05-06 EP disclosed
US-4599420-A GASTROINTESTINAL DISORDERS, ANTIEMETIC, PSYCHOSIS BEECHAM GROUP LTD. (GB) 1986-07-08 US disclosed
US-4544660-A DOPAMINE ANTAGONIST BEECHAM GROUP P.L.C. (GB) 1985-10-01 US disclosed
EP-0013138-B1 AZABICYCLOALKYL DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1983-12-07 EP disclosed
EP-0081054-A2 Azabicyclo alkyl derivatives BEECHAM GROUP PLC (GB) 1983-06-15 EP disclosed
US-4336259-A DOPAMINE ANTAGONIST, NERVOUS SYSTEM DISORDERS AND GASTROINTESTINAL DISORDERS BEECHAM GROUP LIMITED (GB) 1982-06-22 US disclosed
US-4273778-A TREATMENT OF GASTROINTESTINAL DISORDERS, NERVOUS SYSTEM DISORDERS, AND PSYCHOLOGICAL DISORDERS BEECHAM GROUP, LIMITED (GB) 1981-06-16 US disclosed
EP-0013138-A1 Azabicycloalkyl derivatives, a process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1980-07-09 EP 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-20050080085-A1 Novel 3beta-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof AOC3, MAOB, AOC1 SLC6A3 30/4885SLC6A2 573/4885DRD2 22/4885

“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.