SCHEMBL741316

SCHEMBL741316

CC(C)(CO)N1CCc2ncsc2C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.45
DRD2 P14416 9/20 0.44
DRD3 P35462 9/20 0.44
GRM5 P41594 3/20 0.33
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
NMT2 O60551 1/20 0.30
NMT1 P30419 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL12035223 0.87 DRD2 (0.45) MAPK1DRD2DRD3GRM5FGFR1
SCHEMBL740283 0.83 MAPK1 (0.47) MAPK1DRD2DRD3GRM5FGFR1
SCHEMBL740978 0.71 MAPK1 (0.36) MAPK1DRD2DRD3
SCHEMBL13413141 0.69 MAPK1 (0.59) MAPK1DRD2DRD3GRM5FGFR1
SCHEMBL11888222 0.69 MAP3K14 (0.37) MAPK1GRM5
SCHEMBL27289803 0.68 DRD2 (0.59) MAPK1DRD2DRD3GRM5NMT2
SCHEMBL741598 0.68 MAPK1 (0.58) MAPK1GRM5
SCHEMBL17613234 0.67 DRD2 (0.50) MAPK1DRD2DRD3GRM5FGFR1
SCHEMBL13937962 0.67 MAPK1 (0.47) MAPK1DRD2DRD3GRM5FGFR1
SCHEMBL26454532 0.66 CYP1A2 (0.34) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 EP disclosed
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
EP-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 EP disclosed
EP-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 EP disclosed
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP disclosed
US-20060004009-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 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
EP-1577302-A1 NOVEL ETHYLENEDIAMINE 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
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 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
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 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 (5 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-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 MAPK1 1349/4885DRD2 702/4885DRD3 713/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R MAPK1 1864/4885DRD2 351/4885DRD3 353/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R MAPK1 1864/4885DRD2 351/4885DRD3 353/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R MAPK1 1864/4885DRD2 351/4885DRD3 353/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 MAPK1 987/4885DRD2 294/4885DRD3 283/4885

“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.