SCHEMBL4918019

SCHEMBL4918019

OC1Cc2ccccc2C1N1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.45
TSHR P16473 1/20 0.44
SLC9A3 P48764 6/20 0.43
CYP2D6 P10635 1/20 0.41
SLC18A3 Q16572 3/20 0.41
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL9813886 1.00 CHRNA7 (0.45) CHRNA7TSHRSLC9A3CYP2D6SLC18A3
SCHEMBL9772430 1.00 CHRNA7 (0.45) CHRNA7TSHRSLC9A3CYP2D6SLC18A3
SCHEMBL7954485 0.98 TSHR (0.46) CHRNA7TSHRSLC9A3CYP2D6SLC18A3
SCHEMBL15616228 0.98 TSHR (0.46) CHRNA7TSHRSLC9A3CYP2D6SLC18A3
SCHEMBL9772303 0.86 SLC18A3 (0.41) TSHRSLC9A3CYP2D6SLC18A3
SCHEMBL7961950 0.86 SLC18A3 (0.41) TSHRSLC9A3CYP2D6SLC18A3
SCHEMBL9748301 0.83 CHRNA7 (0.50) CHRNA7SLC18A3
SCHEMBL9498356 0.83 CHRNA7 (0.50) CHRNA7SLC18A3
SCHEMBL9748308 0.83 CHRNA7 (0.50) CHRNA7SLC18A3
SCHEMBL9298898 0.82 SLC18A3 (0.37) CHRNA7SLC18A3

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214870-A1 Method of Preparing Amine Stereoisomers HAN ZHENGXU 2008-09-04 US claimed
US-7332610-B2 Method of preparing amine stereoisomers APSINTERM LLC (US) 2008-02-19 US claimed
EP-1497272-A4 METHOD OF PREPARING AMINE STEREOISOMERS APSINTERM LLC (US) 2007-02-07 EP claimed
US-20060287539-A1 Method of preparing amine stereoisomers HAN ZHENGXU 2006-12-21 US claimed
US-7129378-B2 Method of preparing amine stereoisomers APSINTERM, LLC (US) 2006-10-31 US claimed
US-20050165240-A1 Method of preparing amine stereoisomers APSINTERM, LLC 2005-07-28 US claimed
EP-1497272-A2 METHOD OF PREPARING AMINE STEREOISOMERS Apsinterm, LLC. (US) 2005-01-19 EP claimed
WO-2003091207-A2 METHOD OF PREPARING AMINE STEREOISOMERS APSINTERM, LLC. (US) 2003-11-06 WO claimed
US-20080214870-A1 Method of Preparing Amine Stereoisomers HAN ZHENGXU 2008-09-04 US disclosed
US-7332610-B2 Method of preparing amine stereoisomers APSINTERM LLC (US) 2008-02-19 US disclosed
EP-1497272-A4 METHOD OF PREPARING AMINE STEREOISOMERS APSINTERM LLC (US) 2007-02-07 EP disclosed
US-20060287539-A1 Method of preparing amine stereoisomers HAN ZHENGXU 2006-12-21 US disclosed
US-7129378-B2 Method of preparing amine stereoisomers APSINTERM, LLC (US) 2006-10-31 US disclosed
US-20050165240-A1 Method of preparing amine stereoisomers APSINTERM, LLC 2005-07-28 US disclosed
US-5010085-A Analgesis and/or diuretics E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-04-23 US disclosed
US-4988727-A Cardiovascular disorders, analgesics ROUSSEL UCLAF (FR) 1991-01-29 US disclosed
US-4929627-A ANALGESICS, DIURETICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-05-29 US disclosed
US-4888355-A Indanes and their use as antiarrhythmic agents ROUSSEL UCLAF (FR) 1989-12-19 US disclosed
US-4876269-A ANALGESICS, DIURETICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-10-24 US disclosed
EP-0272982-A2 Indane derivatives, process for their preparation and intermediates obtained, their use as medicines and compositions containing them ROUSSEL-UCLAF (FR) 1988-06-29 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 (3 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-20050165240-A1 Method of preparing amine stereoisomers SRM, TST, SMOX CHRNA7 1766/4885TSHR 1636/4885SLC9A3 3429/4885
US-20080214870-A1 Method of Preparing Amine Stereoisomers SRM, PNMT, SMS CHRNA7 1021/4885TSHR 1850/4885SLC9A3 3356/4885
US-20060287539-A1 Method of preparing amine stereoisomers SRM, PNMT, SMS CHRNA7 1021/4885TSHR 1850/4885SLC9A3 3356/4885

“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.