SCHEMBL5115281

SCHEMBL5115281

CN(CCCN)Cc1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.65
CHRNA4 P43681 2/20 0.65
CYP2A6 P11509 1/20 0.57
HRH1 P35367 2/20 0.54
CHRNA7 P36544 2/20 0.51
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
PRMT8 Q9NR22 1/20 0.50
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RIPK1 Q13546 1/20 0.43
CYP3A4 P08684 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43

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
SCHEMBL4862940 0.90 CHRNB2 (0.69) CHRNB2CHRNA4CYP2A6HRH1CHRNA7
SCHEMBL9321360 0.86 CYP2A6 (0.65) CHRNB2CHRNA4CYP2A6HRH1CHRNA7
SCHEMBL9674133 0.85 CHRNB2 (0.67) CHRNB2CHRNA4CHRNA7KDM4EALDH1A1
SCHEMBL11922687 0.85 CHRNB2 (0.72) CHRNB2CHRNA4CHRNA7KDM4EALDH1A1
SCHEMBL13512579 0.84 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA7KDM4EALDH1A1
SCHEMBL5115276 0.84 CHRNB2 (0.65) CHRNB2CHRNA4CYP2A6CHRNA7KDM4E
SCHEMBL27946217 0.83 CYP2A6 (0.61) CHRNB2CHRNA4CYP2A6HRH1CHRNA7
SCHEMBL6585395 0.83 CHRNB2 (0.63) CHRNB2CHRNA4CYP2A6CHRNA7MAPK1
SCHEMBL10028665 0.82 CHRNB2 (0.85) CHRNB2CHRNA4CHRNA7KDM4EALDH1A1
SCHEMBL16627431 0.81 CHRNB2 (0.77) CHRNB2CHRNA4CHRNA7KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6967216-B2 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2005-11-22 US claimed
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor ASTRAZENECA AB (SE) 2003-12-04 US claimed
EP-1278739-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR AstraZeneca AB (SE) 2003-01-29 EP claimed
WO-2001085714-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR ASTRAZENECA AB (SE) 2001-11-15 WO claimed
US-5138062-A Tranquilizers PHILIP MORRIS INCORPORATED 1992-08-11 US claimed
EP-0421762-A1 Novel nicotine analogs and method Philip Morris Products Inc. (US) 1991-04-10 EP claimed
US-11964958-B1 Vaporizable alkaloid compositions and methods of use thereof Ready Mix Naturals, LLC (US) 2024-04-23 US disclosed
US-8236965-B2 Benzimidazole derivatives and their use as a medicament IPSEN PHARMA S.A.S. (FR) 2012-08-07 US disclosed
US-8236965-B2 Benzimidazole derivatives and their use as a medicament IPSEN PHARMA S.A.S. (FR) 2012-08-07 US disclosed
US-20090170922-A1 Benzimidazole derivatives and their use as a medicament SOCIETE DE CONSEILS DE RECHERECHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2009-07-02 US disclosed
US-20090170922-A1 Benzimidazole derivatives and their use as a medicament SOCIETE DE CONSEILS DE RECHERECHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2009-07-02 US disclosed
US-7495110-B2 Benzimidazole derivatives and their use as GnRH antagonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-02-24 US disclosed
US-7495110-B2 Benzimidazole derivatives and their use as GnRH antagonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-02-24 US disclosed
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor ASTRAZENECA AB (SE) 2003-12-04 US disclosed
EP-1278739-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR AstraZeneca AB (SE) 2003-01-29 EP disclosed
WO-2001085714-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR ASTRAZENECA AB (SE) 2001-11-15 WO disclosed
US-5138062-A Tranquilizers PHILIP MORRIS INCORPORATED 1992-08-11 US disclosed
US-5138062-A Tranquilizers PHILIP MORRIS INCORPORATED 1992-08-11 US disclosed
US-5015741-A Insecticides, aphidicides, psychological disorders, sedatives or tranquilizers PHILIP MORRIS INCORPORATED (US) 1991-05-14 US disclosed
EP-0421762-A1 Novel nicotine analogs and method Philip Morris Products Inc. (US) 1991-04-10 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-11964958-B1 Vaporizable alkaloid compositions and methods of use thereof SRM, SCLY, SMOX CHRNB2 98/4885CHRNA4 26/4885CYP2A6 839/4885
US-20090170922-A1 Benzimidazole derivatives and their use as a medicament GNRHR, FSHR, KISS1R CHRNB2 2280/4885CHRNA4 1367/4885CYP2A6 877/4885
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor NPY5R, NPY1R, NPY2R CHRNB2 448/4885CHRNA4 546/4885CYP2A6 3307/4885

“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.