SCHEMBL1267243

SCHEMBL1267243

[CH]1CC(c2ccccc2)C(c2ccccc2)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.52
HTR2C P28335 8/20 0.52
MAOA P21397 7/20 0.52
KDM1A O60341 5/20 0.52
CYP2C19 P33261 4/20 0.52
CYP2B6 P20813 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
LMNA P02545 2/20 0.52
TAAR1 Q96RJ0 2/20 0.52
CYP3A4 P08684 1/20 0.52
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52
CYP2A6 P11509 1/20 0.52
SLC6A2 P23975 1/20 0.52
ADRA1A P35348 1/20 0.52
DRD3 P35462 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KCNH2 Q12809 1/20 0.52

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
SCHEMBL779571 0.85 CHRNA7 (0.45) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL3000158 0.82 MAOB (0.52) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL2013478 0.77 SLC18A3 (0.48) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL8845464 0.75 MAOB (0.65) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL10540521 0.75 MAOB (0.65) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL2769401 0.75 MAOB (0.57) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL2261976 0.75 MAOB (0.65) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL2768026 0.75 MAOB (0.57) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL2768025 0.75 MAOB (0.57) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL16817817 0.75 MEN1 (0.40) MAOBHTR2CMAOAKDM1ACYP2C19

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-1817032-A2 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmaceuticals Incorporated (US) 2007-08-15 EP claimed
US-20060287303-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2006-12-21 US claimed
WO-2006058294-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-01 WO claimed
EP-2061115-B1 LITHIUM DIFLUOROPHOSPHATE, ELECTROLYTIC SOLUTION CONTAINING LITHIUM DIFLUOROPHOSPHATE, PROCESS FOR PRODUCING LITHIUM DIFLUOROPHOSPHATE, PROCESS FOR PRODUCING NONAQUEOUS ELECTROLYTIC SOLUTION, NONAQUEOUS ELECTROLYTIC SOLUTION, AND NONAQUEOUS-ELECTROLYTIC-SOLUTION SECONDARY CELL EMPLOYING THE SAME MITSUBISHI CHEM CORP (JP) 2015-04-01 EP disclosed
US-7880007-B2 such as 1-bicyclo[2.2.1]hept-2-yl-4-(4-methoxy-2-methyl-phenyl)-piperidine, used for the treatment of chronic obstructive pulmonary disease, asthma, urinary incontinence, vision defects and Alzheimer's disease VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-01 US disclosed
US-20090286155-A1 LITHIUM DIFLUOROPHOSPHATE, ELECTROLYTE CONTAINING LITHIUM DIFLUOROPHOSPHATE, PROCESS FOR PRODUCING LITHIUM DIFLUOROPHOSPHATE, PROCESS FOR PRODUCING NONAQUEOUS ELECTROLYTE, NONAQUEOUS ELECTROLYTE, AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY CONTAINING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2009-11-19 US disclosed
EP-2061115-A1 LITHIUM DIFLUOROPHOSPHATE, ELECTROLYTIC SOLUTION CONTAINING LITHIUM DIFLUOROPHOSPHATE, PROCESS FOR PRODUCING LITHIUM DIFLUOROPHOSPHATE, PROCESS FOR PRODUCING NONAQUEOUS ELECTROLYTIC SOLUTION, NONAQUEOUS ELECTROLYTIC SOLUTION, AND NONAQUEOUS-ELECTROLYTIC-SOLUTION SECONDARY CELL EMPLOYING THE SAME Mitsubishi Chemical Corporation (JP) 2009-05-20 EP disclosed
EP-1817032-A2 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmaceuticals Incorporated (US) 2007-08-15 EP disclosed
US-20060287303-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2006-12-21 US disclosed
WO-2006058294-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-01 WO 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-20060287303-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 MAOB 609/4885HTR2C 262/4885MAOA 574/4885

“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.