SCHEMBL8245665

SCHEMBL8245665

O=C1NC(=O)C2(c3ccc(Br)cc3)CC12

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.70
LIG1 P18858 1/20 0.37
CXCR3 P49682 5/20 0.36
CHRM1 P11229 1/20 0.34
KDM1A O60341 2/20 0.34
RCOR1 Q9UKL0 2/20 0.34
HAO1 Q9UJM8 1/20 0.33
CRBN Q96SW2 1/20 0.33
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL13201868 1.00 CYP19A1 (0.70) CYP19A1LIG1CXCR3CHRM1KDM1A
SCHEMBL4759593 1.00 CYP19A1 (0.70) CYP19A1LIG1CXCR3CHRM1KDM1A
SCHEMBL14520901 0.84 CYP19A1 (0.72) CYP19A1CXCR3CRBN
SCHEMBL4556388 0.84 CYP19A1 (0.72) CYP19A1CXCR3CRBN
SCHEMBL10530941 0.82 CYP19A1 (1.00) CYP19A1
Cyproximide SCHEMBL121879 0.82 CYP19A1 (0.70) CYP19A1LIG1CXCR3KDM1ARCOR1
SCHEMBL10530071 0.82 CYP19A1 (1.00) CYP19A1
SCHEMBL22623727 0.82 CYP19A1 (1.00) CYP19A1
SCHEMBL1552771 0.81 CYP19A1 (0.69) CYP19A1CXCR3KDM1AMMP2MMP9
SCHEMBL2054565 0.81 CYP19A1 (0.69) CYP19A1CXCR3KDM1AMMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776904-B2 Azabicyclo [3.1.0] hexylphenyl derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2010-08-17 US disclosed
US-20090030062-A1 AZABICYCLO [3.1.0] HEXYLPHENYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED 2009-01-29 US disclosed
WO-2007022935-A1 AZABICYCLO [3.1.0] HEXYLPHENYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-03-01 WO disclosed
US-4435419-A Method of treating depression using azabicyclohexanes AMERICAN CYANAMID COMPANY (US) 1984-03-06 US disclosed
US-4231935-A ANXIOLYTICS AND ANALGESICS AMERICAN CYANAMID COMPANY (US) 1980-11-04 US disclosed
US-4196120-A 1,2-BIS(HYDROCARBYLSULFONYLOXY OR HALO METHYL)CYCLOPROPYLBENZENE, OPTICAL ACITIVITY ANALGESICS AMERICAN CYANAMID COMPANY (US) 1980-04-01 US disclosed
US-4131611-A ANXIOLYTIC, ANALGESIC AMERICAN CYANAMID COMPANY (US) 1978-12-26 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 (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-20090030062-A1 AZABICYCLO [3.1.0] HEXYLPHENYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS DRD3, DRD2, HTR3C CYP19A1 1550/4885LIG1 4469/4885CXCR3 850/4885

“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.