SCHEMBL207166

SCHEMBL207166

[C]1=Nc2ccccc2ON1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL207633 0.72 AHR (0.38)
SCHEMBL208746 0.72 AHR (0.38)
SCHEMBL452614 0.65
SCHEMBL10353507 0.65 ITGB2 (0.54) TRPA1CYP1A2CYP2D6
SCHEMBL10353043 0.65 ABCG2 (0.54) TRPA1CYP1A2CYP2D6
SCHEMBL18874763 0.65 ITGB2 (0.54) TRPA1CYP1A2CYP2D6
SCHEMBL15746510 0.65 TRPA1 (0.32) TRPA1CYP1A2CYP2D6
SCHEMBL19155507 0.65 TRPA1 (0.32) TRPA1CYP1A2CYP2D6
SCHEMBL23868602 0.63 HRH4 (0.32) TRPA1
SCHEMBL14802675 0.63 ABCG2 (0.44) TRPA1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US claimed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US claimed
EP-1864982-A1 TRIAMINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP claimed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US claimed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 US claimed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US claimed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP claimed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP claimed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US claimed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US claimed
US-6740655-B2 3',5'-CYCLIC NUCLEOTIDE PHOSPHODIESTERASE 4-SPECIFIC INHIBITORS REDUCE EOSINOPHIL INFLUX TO THE LUNGS; SIDE EFFECT REDUCTION; ANTIINFLAMMATORY AGENT; ANTIALLERGENS; RESPIRATORY SYSTEM DISORDERS, ESPECIALLY ASTHMA PFIZER INC 2004-05-25 US claimed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP claimed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP claimed
US-20030144300-A1 Pyrimidine carboxamides useful as inhibitors of pde4 isozymes PFIZER PRODUCTS INC. 2003-07-31 US claimed
EP-1925611-B1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME DAIICHI SANKYO CO LTD (JP) 2016-04-13 EP disclosed
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP disclosed
US-20030144300-A1 Pyrimidine carboxamides useful as inhibitors of pde4 isozymes PFIZER PRODUCTS INC. 2003-07-31 US 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 (8 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S TRPA1 1764/4885CYP1A2 3302/4885CYP2D6 1232/4885
US-20090239857-A1 TRIAMINE DERIVATIVE F2, F12, F3 TRPA1 761/4885CYP1A2 95/4885CYP2D6 387/4885
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 TRPA1 2310/4885CYP1A2 3257/4885CYP2D6 1295/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R TRPA1 1492/4885CYP1A2 2631/4885CYP2D6 577/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R TRPA1 1492/4885CYP1A2 2631/4885CYP2D6 577/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R TRPA1 1492/4885CYP1A2 2631/4885CYP2D6 577/4885
US-20030144300-A1 Pyrimidine carboxamides useful as inhibitors of pde4 isozymes PDE12, PDE4A, PDE4B TRPA1 3023/4885CYP1A2 188/4885CYP2D6 545/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R TRPA1 1577/4885CYP1A2 2535/4885CYP2D6 476/4885

“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.