SCHEMBL6583849

SCHEMBL6583849

N#CC1Cc2ccc(N)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 5/20 0.32
ALDH1A1 P00352 4/20 0.32
MAPT P10636 4/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HSD17B10 Q99714 2/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
DRD1 P21728 1/20 0.32
USP2 O75604 2/20 0.31
MDM4 O15151 1/20 0.31
CA9 Q16790 2/20 0.30
CA12 O43570 1/20 0.30

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
Hydrochloric Acid SCHEMBL3020631 0.98 CHRNB2 (0.33) CHRNB2CHRNA4MEN1KMT2AKDM4E
SCHEMBL6583916 0.85 HSD17B10 (0.36) CHRNB2CHRNA4MEN1KMT2AKDM4E
SCHEMBL3028639 0.77 TRPM5 (0.41) CHRNB2CHRNA4
SCHEMBL7540183 0.77 OPRM1 (0.38) CHRNB2CHRNA4
SCHEMBL6989944 0.77 OPRK1 (0.40) CA1CA2
SCHEMBL10849941 0.74 CA1 (0.50) ALDH1A1MAPTCA9CA12CA1
SCHEMBL7439467 0.73 OPRM1 (0.44)
SCHEMBL3161060 0.73 OPRM1 (0.44)
SCHEMBL7431326 0.71 GRIN2D (0.41) CHRNB2CHRNA4
SCHEMBL1722308 0.71 GRIN2D (0.41) CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON 2010-08-19 US disclosed
US-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON 2010-08-19 US disclosed
WO-2009037220-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2009-03-26 WO disclosed
EP-1146044-B1 CNS active cyclobuta-indole carboxamide derivatives, processes for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2004-09-01 EP disclosed
US-6743818-B2 TREATING ANXIETY, PANIC ATTACKS, OBSESSIVE-COMPULSIVE DISORDERS, PHOBIAS, IMPULSIVE DISORDERS, DRUG ABUSE, COGNITIVE DISORDERS, PSYCHOSES, DEPRESSION AND MOOD DISORDERS LES LABORATOIRES SERVIER (FR) 2004-06-01 US disclosed
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-20030032812-A1 Cyclobutaindolecarboxamide compounds PEGLION JEAN-LOUIS (FR) 2003-02-13 US disclosed
US-6452015-B2 FOR TREATMENT OF ANXIETY, PANIC ATTACKS, OBSESSIVE-COMPULSIVE DISORDERS, PHOBIAS, IMPULSIVE DISORDERS, DRUG ABUSE, COGNITIVE DISORDERS, PSYCHOSES, DEPRESSION AND MOOD DISORDERS LES LABORATOIRES SERVIER (FR) 2002-09-17 US 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
US-20010044426-A1 Cyclobutaindolecarboxamide compounds LES LABORATOIRES SERVIER (FR) 2001-11-22 US disclosed
EP-1146044-A1 CNS active cyclobuta-indole carboxamide derivatives, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-10-17 EP 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-4724260-A Unsaturated alkyl monoarylcyclobutane monomers THE DOW CHEMICAL COMPANY (US) 1988-02-09 US disclosed
US-4567181-A Bicyclo (4.2.0) 1,3,5-octatriene compounds and use as α-adrenergics ADIR, S.A.R.L. (FR) 1986-01-28 US 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 (4 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-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES TPH1, HTR2C, TPH2 CHRNB2 265/4885CHRNA4 131/4885MEN1 3482/4885
US-20020019380-A1 Heterocycloalkylbenzocyclobutane and heteroarylbenzocyclobutane compounds HSD3B2, HSD3B1, NR1H3 CHRNB2 243/4885CHRNA4 512/4885MEN1 2535/4885
US-20010044426-A1 Cyclobutaindolecarboxamide compounds HRH4, HTR4, CNR1 CHRNB2 190/4885CHRNA4 10/4885MEN1 2848/4885
US-20030032812-A1 Cyclobutaindolecarboxamide compounds CYP2W1, HRH4, CNR1 CHRNB2 375/4885CHRNA4 64/4885MEN1 2739/4885

“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.