SCHEMBL6989944

SCHEMBL6989944

N#CC1Cc2ccc(O)cc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.40
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
DRD4 P21917 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
DYRK1A Q13627 1/20 0.36
HSD17B1 P14061 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
ACHE P22303 2/20 0.35

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
SCHEMBL2501307 0.85 CHRNB2 (0.42) OPRK1DRD2DRD3DRD4ESR1
SCHEMBL6583849 0.77 CHRNB2 (0.34) CA1CA2
SCHEMBL3028639 0.77 TRPM5 (0.41)
SCHEMBL7540183 0.77 OPRM1 (0.38) OPRM1ACHE
SCHEMBL10292643 0.76 FYN (0.40) DRD2DRD3DRD4MAOA
Hydrochloric Acid SCHEMBL3020631 0.76 CHRNB2 (0.33)
SCHEMBL3161060 0.73 OPRM1 (0.44) OPRK1OPRM1OPRD1DRD2DRD3
SCHEMBL7439467 0.73 OPRM1 (0.44) OPRK1OPRM1OPRD1DRD2DRD3
SCHEMBL1722308 0.71 GRIN2D (0.41)
SCHEMBL7273323 0.71 DRD2 (0.46) OPRK1DRD2DRD3DRD4ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1146041-B1 Derivatives of heterocycloalkylbenzocyclobutane and heteroarylbenzocyclobutane and their use as inhibitors of the recapture of serotonine and of noradrenaline SERVIER LAB (FR) 2003-11-12 EP disclosed
US-6420413-B2 1-(6-((DIMETHYLAMINO)METHYL)-1-METHYL-2,3,5,6-TETRAHYDRO-1H -CYCLOBUTA(F) INDOL-6-YL)CYCLOHEXANOL, FOR EXAMPLE; TREATING PSYCHOLOGICAL DISORDERS SUCH AS DEPRESSION, PANIC ATTACKS, PHOBIAS, DRUG ABUSE, AS WELL AS OBESITY AND BULEMIA LES LABORATORIES SERVIER (FR) 2002-07-16 US disclosed
EP-0940386-B1 Benzocyclobutan compounds, their process for preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2002-05-22 EP disclosed
EP-1038873-B1 Benzo(3,4)cyclobuta(1,2-c)pyrrole derivatives as inhibitors of serotonine reuptake SERVIER LAB (FR) 2002-05-02 EP disclosed
US-20020019380-A1 Heterocycloalkylbenzocyclobutane and heteroarylbenzocyclobutane compounds LES LABORATOIRES SERVIER (FR) 2002-02-14 US disclosed
EP-1146041-A1 Derivatives of heterocycloalkylbenzocyclobutane and heteroarylbenzocyclobutane and their use as inhibitors of the recapture of serotonine and of noradrenaline ADIR ET COMPAGNIE (FR) 2001-10-17 EP disclosed
US-6153640-A FOR TREATING DEPRESSION, PANIC ATTACKS, OBSESSIVE-COMPULSIVE DISORDERS, PHOBIAS, IMPULSIVE DISORDERS, DRUG ABUSE OR ANXIETY ADIR ET COMPAGNIE (FR) 2000-11-28 US disclosed
EP-1038873-A2 Benzo(3,4)cyclobuta(1,2-c)pyrrole derivatives as inhibitors of serotonine reuptake ADIR ET COMPAGNIE (FR) 2000-09-27 EP disclosed
US-6107345-A ANTIDEPRESSANT; PSYCHOLOGICAL DISORDERS ADIR ET COMPAGNIE (FR) 2000-08-22 US disclosed
EP-0940386-A1 Benzocyclobutan compounds, their process for preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-09-08 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-20020019380-A1 Heterocycloalkylbenzocyclobutane and heteroarylbenzocyclobutane compounds HSD3B2, HSD3B1, NR1H3 OPRK1 329/4885OPRM1 128/4885OPRD1 126/4885

“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.