SCHEMBL1225311

SCHEMBL1225311

CC(C)N(c1ccccn1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
TAAR1 Q96RJ0 1/20 0.45
ALDH1A1 P00352 3/20 0.43
KCNH2 Q12809 2/20 0.40
CHRM2 P08172 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
DRD1 P21728 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
OPRK1 P41145 1/20 0.40
SLC6A3 Q01959 1/20 0.40
POLB P06746 3/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL3989090 0.83 CYP2D6 (0.44) CYP2D6CYP2C19TAAR1ALDH1A1KCNH2
SCHEMBL13338372 0.82 CYP2D6 (0.47) CYP2D6CYP2C19TAAR1ALDH1A1KCNH2
SCHEMBL85721 0.80 CYP2D6 (0.55) CYP2D6CYP2C19TAAR1ALDH1A1KCNH2
SCHEMBL24710267 0.76 TAAR1 (0.34) CYP2D6CYP2C19TAAR1ALDH1A1POLB
SCHEMBL13180333 0.75 TAAR1 (0.55) CYP2D6CYP2C19TAAR1ALDH1A1KCNH2
SCHEMBL13338416 0.75 ALDH1A1 (0.46) CYP2D6CYP2C19TAAR1ALDH1A1KCNH2
SCHEMBL13145782 0.75 TAAR1 (0.48) CYP2D6CYP2C19TAAR1ALDH1A1KCNH2
SCHEMBL24724947 0.75 CYP2D6 (0.39) CYP2D6CYP2C19TAAR1ALDH1A1KCNH2
SCHEMBL11701431 0.74 CYP2D6 (0.44) CYP2D6CYP2C19TAAR1ALDH1A1KCNH2
SCHEMBL14813491 0.74 POLB (0.39) CYP2D6CYP2C19ALDH1A1KCNH2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120076798-A Lipid composition 斯微(上海)生物科技股份有限公司 2025-05-30 CN disclosed
CN-119654136-A Lipid composition 斯微(上海)生物科技股份有限公司 2025-03-18 CN disclosed
CN-119630426-A Lipid composition 斯微(上海)生物科技股份有限公司 2025-03-14 CN disclosed
EP-1963274-B1 BENZOYLPYRAZOLE COMPOUNDS AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA (JP) 2015-04-29 EP disclosed
US-8466088-B2 Herbicidal compositions containing benzoylpyrazole compounds ISHIHARA SANGYO KAISHA, LTD. (JP) 2013-06-18 US disclosed
EP-2546240-A1 Benzoylpyrazole compounds and herbicides containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 2013-01-16 EP disclosed
US-20110282070-A1 BENZOYLPYRAZOLE COMPOUNDS AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-11-17 US disclosed
US-8034621-B2 Chemical sensors of zinc, nickel, and copper ions INDIAN INSTITUTE OF TECHNOLOGY (IN) 2011-10-11 US disclosed
US-8030498-B2 Benzoylpyrazole compounds and herbicides containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-10-04 US disclosed
US-20110045597-A1 CHEMICAL SENSORS OF ZINC, NICKEL, AND COPPER IONS EMPIRE TECHNOLOGY DEVELOPMENT LLC 2011-02-24 US disclosed
US-20090286683-A1 BENZOYLPYRAZOLE COMPOUNDS AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-11-19 US disclosed
EP-2106697-A1 HERBICIDAL COMPOSITIONS CONTAINING BENZOYLPYRAZOLE COMPOUNDS ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-10-07 EP disclosed
EP-2103215-A1 HERBICIDE CONTAINING BENZOYLPYRAZOLE COMPOUND ISHIHARA SANGYO KAISHA, LTD. (JP) 2009-09-23 EP disclosed
EP-1963274-A1 BENZOYLPYRAZOLE COMPOUNDS AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2008-09-03 EP disclosed
WO-2007069771-A1 BENZOYLPYRAZOLE COMPOUNDS AND HERBICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2007-06-21 WO disclosed
EP-1042320-B1 NEW COMPOUNDS WHICH ARE P2-PURINOCEPTOR 7-TRANSMEMBRANE (TM) G-PROTEIN COUPLED RECEPTOR ANTAGONISTS ASTRAZENECA UK LTD (GB) 2002-02-13 EP disclosed
US-6218376-B1 FOR TREATING INFLAMMATORY DISEASES ASTRAZENECA UK LIMITED (GB) 2001-04-17 US disclosed
EP-1042320-A1 NEW COMPOUNDS WHICH ARE P2-PURINOCEPTOR 7-TRANSMEMBRANE (TM) G-PROTEIN COUPLED RECEPTOR ANTAGONISTS AstraZeneca UK Limited (GB) 2000-10-11 EP disclosed
WO-1999026944-A1 NEW COMPOUNDS WHICH ARE P2-PURINOCEPTOR 7-TRANSMEMBRANE (TM) G-PROTEIN COUPLED RECEPTOR ANTAGONISTS ASTRAZENEKA UK LIMITED (GB) 1999-06-03 WO disclosed
EP-0230972-A2 Method of producing cephem compounds Takeda Chemical Industries, Ltd. (JP) 1987-08-05 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-20110045597-A1 CHEMICAL SENSORS OF ZINC, NICKEL, AND COPPER IONS SOD1, NCS1, SLC39A11 CYP2D6 3238/4885CYP2C19 1801/4885TAAR1 289/4885
US-20110282070-A1 BENZOYLPYRAZOLE COMPOUNDS AND HERBICIDES CONTAINING THEM OXSR1, OR10J3, OSBPL3 CYP2D6 968/4885CYP2C19 1455/4885TAAR1 253/4885
US-20090286683-A1 BENZOYLPYRAZOLE COMPOUNDS AND HERBICIDES CONTAINING THEM DDT, ABAT, AADAC CYP2D6 230/4885CYP2C19 199/4885TAAR1 3573/4885

“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.