SCHEMBL3311897

SCHEMBL3311897

COC(=O)c1ccc(-c2ccccc2CN(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.50
PTPN1 P18031 2/20 0.48
PTPRC P08575 1/20 0.48
PTPRF P10586 1/20 0.48
CDC25B P30305 1/20 0.48
TSHR P16473 1/20 0.47
F10 P00742 1/20 0.46
ITGB1 P05556 1/20 0.46
ITGA4 P13612 1/20 0.46
ITGB7 P26010 1/20 0.46
RAB9A P51151 4/20 0.44
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
AGTR1 P30556 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 4/20 0.44
ALDH1A2 O94788 1/20 0.43
ALDH1A3 P47895 1/20 0.43
SLC6A3 Q01959 3/20 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
SCHEMBL27621631 0.84 EGFR (0.56) EGFRTSHRRAB9AALDH1A1NPC1
SCHEMBL12101183 0.83 FOLH1 (0.56) TSHRF10ITGB1ITGA4ITGB7
SCHEMBL7021441 0.82 PTPN1 (0.54) EGFRPTPN1PTPRCPTPRFCDC25B
Lithium SCHEMBL3305736 0.82 FOLH1 (0.55) TSHRF10ITGB1ITGA4ITGB7
SCHEMBL3305732 0.82 FOLH1 (0.55) TSHRF10ITGB1ITGA4ITGB7
Lithium Ion SCHEMBL3305735 0.81 F10 (0.44) TSHRF10ITGB1ITGA4ITGB7
SCHEMBL7176319 0.81 EGFR (0.55) EGFRPTPN1PTPRCPTPRFCDC25B
SCHEMBL6539223 0.79 EGFR (0.50) EGFRPTPN1PTPRCPTPRFCDC25B
SCHEMBL5937251 0.79 SLC6A4 (0.47) EGFRTSHRF10RAB9AALDH1A1
SCHEMBL27708108 0.77 EGFR (0.71) EGFRPTPN1PTPRCPTPRFCDC25B

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-22 US disclosed
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM DAIICHI PHARMACEUTICAL CO., LTD (JP) 2009-11-12 US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US disclosed
US-7576135-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-08-18 US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
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 disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 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 (4 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 EGFR 1211/4885PTPN1 4622/4885PTPRC 4455/4885
US-20100099660-A1 METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES F2, PLAT, MPL EGFR 1217/4885PTPN1 4621/4885PTPRC 3032/4885
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 EGFR 2378/4885PTPN1 4801/4885PTPRC 4798/4885
US-20090281074-A1 DRUG COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING THROMBOSIS OR EMBOLISM C1R, C9, F2 EGFR 1690/4885PTPN1 4579/4885PTPRC 4304/4885

“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.