SCHEMBL844392

SCHEMBL844392

CN(CCN)c1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.55
CYP2C19 P33261 2/20 0.55
HRH1 P35367 3/20 0.46
CHRM2 P08172 3/20 0.46
ADRA2A P08913 3/20 0.46
DRD1 P21728 3/20 0.46
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 3/20 0.46
SLC6A3 Q01959 3/20 0.46
KCNH2 Q12809 3/20 0.46
ADRA1A P35348 2/20 0.46
ADRA2B P18089 2/20 0.46
HTR2A P28223 2/20 0.46
ADRA2C P18825 1/20 0.46
OPRK1 P41145 1/20 0.46
KDM4E B2RXH2 4/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL10653002 0.89 HRH3 (0.57) CYP2D6CYP2C19HRH1CHRM2ADRA2A
SCHEMBL29901385 0.89 HRH3 (0.57) CYP2D6CYP2C19HRH1CHRM2ADRA2A
SCHEMBL10652720 0.87 HRH3 (0.51) CYP2D6CYP2C19HRH1CHRM2ADRA2A
Hydrochloric Acid SCHEMBL30516224 0.87 HRH3 (0.55) CYP2D6CYP2C19HRH1CHRM2ADRA2A
SCHEMBL12120297 0.85 CYP2D6 (0.45) CYP2D6CYP2C19HRH1CHRM2ADRA2A
Trifluoroacetic Acid SCHEMBL838129 0.85 PPARG (0.46) CYP2D6CYP2C19HRH1CHRM2ADRA2A
SCHEMBL4445537 0.82 CYP2D6 (0.72) CYP2D6CYP2C19HRH1CHRM2ADRA2A
SCHEMBL434743 0.82 CYP2D6 (0.56) CYP2D6CYP2C19HRH1CHRM2ADRA2A
SCHEMBL1904189 0.81 CYP2D6 (0.55) CYP2D6CYP2C19HRH1CHRM2ADRA2A
SCHEMBL31490354 0.81 POLB (0.58) CYP2D6CYP2C19HRH1CHRM2ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112876688-B Preparation method of nano micelle suitable for tandem catalysis 浙江理工大学 2022-10-28 CN claimed
CN-1030319-C 20- and 21-amino steroid EUPJOHN CORP (US) 1995-11-22 CN claimed
CN-86106226-A 20-and 21-amino steroids 1987-03-18 CN claimed
CN-111943930-B Synthesis process of Lasmidinan 南京三元阳普医药科技有限公司 2022-11-01 CN disclosed
CN-112876688-B Preparation method of nano micelle suitable for tandem catalysis 浙江理工大学 2022-10-28 CN disclosed
US-20220331275-A1 COMBINATION TREATMENTS FOR CENTRAL NERVOUS SYSTEM DISORDERS PHILERA NEW ZEALAND LTD. (NZ) 2022-10-20 US disclosed
EP-3982943-A1 COMBINATION TREATMENTS FOR CENTRAL NERVOUS SYSTEM DISORDERS Philera New Zealand Ltd. (NZ) 2022-04-20 EP disclosed
CN-111943930-A Synthesis process of Lasmidinan 南京三元阳普医药科技有限公司 2020-11-17 CN disclosed
EP-2013182-B1 AMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN SEIYAKU KK (JP) 2013-09-04 EP disclosed
EP-2383271-B1 Aminoquinolones as GSK-3 Inhibitors KYORIN SEIYAKU KK (JP) 2013-07-10 EP disclosed
US-8143251-B2 Triazolotriazines as kinase inhibitors INCYTE CORPORATION (US) 2012-03-27 US disclosed
WO-2008021781-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-02-21 WO disclosed
US-20080039457-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-02-14 US disclosed
US-20080039457-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-02-14 US disclosed
US-20070254866-A1 Aminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
CN-1030319-C 20- and 21-amino steroid EUPJOHN CORP (US) 1995-11-22 CN disclosed
EP-0113572-B1 PYRIDINE DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-02-03 EP disclosed
CN-86106226-A 20-and 21-amino steroids 1987-03-18 CN disclosed
US-4547506-A 2-Pyridylaminoakylamino-4-pyrimidones useful as histamine H1 -antagonists SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-10-15 US disclosed
EP-0113572-A2 Pyridine derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-07-18 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 (2 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-20080039457-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET CYP2D6 2893/4885CYP2C19 1670/4885HRH1 2050/4885
US-20070254866-A1 Aminoquinolones as GSK-3 inhibitors GSK3B, GSK3A, GSKIP CYP2D6 2378/4885CYP2C19 3526/4885HRH1 3735/4885

“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.