SCHEMBL208476

SCHEMBL208476

COC(=O)C(=O)Nc1ccc(F)cn1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.51
RAB9A P51151 3/20 0.50
MAPT P10636 1/20 0.50
KDM4E B2RXH2 1/20 0.48
FFAR2 O15552 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
KCNH2 Q12809 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
CXCR2 P25025 1/20 0.43
CYP3A4 P08684 1/20 0.43
SLC6A3 Q01959 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
SCHEMBL12507948 0.85 GRM5 (0.53) GRM5RAB9AKDM4EFFAR2SMN1; SMN2
SCHEMBL25529142 0.84 MAPT (0.61) GRM5RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL30174216 0.84 MAPT (0.61) GRM5RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL3308221 0.81 RAB9A (0.77) RAB9AMAPTKDM4ESMN1; SMN2NPC1
SCHEMBL1503835 0.80 PTK2 (0.65) RAB9AMAPTSMN1; SMN2NPC1CYP1A2
SCHEMBL30481206 0.80 PTK2 (0.65) RAB9AMAPTSMN1; SMN2NPC1CYP1A2
SCHEMBL1503823 0.80 RAB9A (0.57) RAB9AMAPTKDM4ESMN1; SMN2NPC1
SCHEMBL1430301 0.79 PTK2 (0.62) GRM5RAB9AMAPTKDM4EFFAR2
SCHEMBL31741287 0.79 PTK2 (0.62) GRM5RAB9AMAPTKDM4EFFAR2
Hydrochloric Acid SCHEMBL30722380 0.79 PTK2 (0.63) RAB9AMAPTSMN1; SMN2NPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 EP disclosed
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
EP-1405852-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-08-01 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
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 EP disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 US disclosed
EP-1864982-A1 TRIAMINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP 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
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 GRM5 2706/4885RAB9A 3871/4885MAPT 4390/4885
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 GRM5 2118/4885RAB9A 3368/4885MAPT 4451/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R GRM5 2219/4885RAB9A 3294/4885MAPT 4271/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R GRM5 2219/4885RAB9A 3294/4885MAPT 4271/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R GRM5 2219/4885RAB9A 3294/4885MAPT 4271/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 GRM5 1573/4885RAB9A 2734/4885MAPT 4302/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R GRM5 2242/4885RAB9A 3496/4885MAPT 4230/4885

“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.