SCHEMBL6989258

SCHEMBL6989258

N#CC1Cc2ccc3ccoc3c21

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.41
DRD3 P35462 3/20 0.41
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 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
SCHEMBL6986722 0.69 ANPEP (0.40)
SCHEMBL3150179 0.66 CYP2A6 (0.41)
SCHEMBL6989041 0.66 CYP2A6 (0.41)
SCHEMBL4419988 0.63 MAOA (0.46) HTR1ADRD3HTR2AHTR2CHTR2B
SCHEMBL29591293 0.63 MAOA (0.46) HTR1ADRD3HTR2AHTR2CHTR2B
SCHEMBL6580381 0.61 HTR1D (0.40) DRD3
SCHEMBL6983401 0.61 HTR1A (0.36) HTR1ADRD3
SCHEMBL8032564 0.61 ALDH1A1 (0.39) HTR1AHTR2AHTR2CHTR2B
SCHEMBL7542927 0.61 LDHA (0.32) HTR2AHTR2CHTR2B
SCHEMBL4247534 0.60 ACHE (0.43)

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 4 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
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

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 HTR1A 336/4885DRD3 770/4885HTR2A 271/4885

“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.