SCHEMBL925003

SCHEMBL925003

CN1C=CN(CCc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.46
SIGMAR1 Q99720 3/20 0.44
HRH3 Q9Y5N1 1/20 0.44
ACHE P22303 1/20 0.43
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2A6 P11509 1/20 0.40
HTR2A P28223 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
GSK3A P49840 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
Hydrochloric Acid SCHEMBL2761296 0.98 SLC6A3 (0.44) SLC6A3SIGMAR1HRH3ACHE
SCHEMBL869648 0.89 SIGMAR1 (0.53) SIGMAR1GSK3AGSK3B
SCHEMBL1076869 0.88 SLC6A3 (0.52) SLC6A3SIGMAR1HRH3ACHEHTR1A
Hydrochloric Acid SCHEMBL5835820 0.87 SIGMAR1 (0.51) SIGMAR1GSK3AGSK3B
Iodide SCHEMBL9160115 0.86 SLC6A3 (0.50) SLC6A3SIGMAR1HRH3ACHEHTR1A
Bromide SCHEMBL1077951 0.86 SLC6A3 (0.50) SLC6A3SIGMAR1HRH3ACHEHTR1A
SCHEMBL667066 0.82 MC4R (0.46) SIGMAR1ACHEMAPT
SCHEMBL28875834 0.82 SIGMAR1 (0.46) SIGMAR1L3MBTL1
SCHEMBL28316372 0.82 SIGMAR1 (0.46) SIGMAR1GSK3AGSK3B
Hydrochloric Acid SCHEMBL383001 0.81 MC4R (0.44) SIGMAR1ACHEMAPTL3MBTL1

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
CN-108690217-B Carbon fiber recycling composition and method 波音公司 2022-07-15 CN claimed
CN-108690217-B Carbon fiber recycling composition and method 波音公司 2022-07-15 CN disclosed
EP-2474527-B1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION WAKO PURE CHEM IND LTD (JP) 2017-01-25 EP disclosed
CN-104981475-A Heteropolyoxometalates POM PATENTVERWALTUNGS GBR 2015-10-14 CN disclosed
US-8546609-B2 Ionic liquid containing allylsulfonate anion WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-01 US disclosed
US-8411347-B2 Composition comprising photochromic dyes in an ionic solvent ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2013-04-02 US disclosed
US-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-06-21 US disclosed
US-20110013252-A1 COMPOSITION COMPRISING PHOTOCHROMIC DYES IN AN IONIC SOLVENT Essilor International (compagnie Generale D'optiqu e (FR) 2011-01-20 US disclosed
CN-101048340-A Method for separating gases SOLVAY FLUOR GMBH (DE) 2007-10-03 CN disclosed
CN-1216536-A Process for preparing heterocyclic carbenes RAYON CO LTD (DE) 1999-05-12 CN 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-20120157680-A1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION ATXN2L, ARL1, INPPL1 SLC6A3 3084/4885SIGMAR1 413/4885HRH3 1929/4885

“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.