SCHEMBL763932

SCHEMBL763932

N[C@@H]1CC(COCc2ccccc2)(COCc2ccccc2)C[C@H]1N

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
TACR1 P25103 7/20 0.44
IDO1 P14902 1/20 0.41
AGXT P21549 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
SLC6A4 P31645 4/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
KDM1A O60341 3/20 0.38

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
SCHEMBL1863521 1.00 TSHR (0.48) TSHRTACR1IDO1AGXTTAAR1
SCHEMBL1863524 1.00 TSHR (0.48) TSHRTACR1IDO1AGXTTAAR1
SCHEMBL1857390 0.82 TSHR (0.48) TSHRTACR1IDO1KDM4EPOLB
SCHEMBL763893 0.82 TSHR (0.48) TSHRTACR1IDO1KDM4EPOLB
SCHEMBL1857389 0.82 TSHR (0.48) TSHRTACR1IDO1KDM4EPOLB
SCHEMBL9618014 0.80 TSHR (0.50) TSHRTACR1IDO1AGXTTAAR1
SCHEMBL6555217 0.74 TSHR (0.52) TSHRTACR1IDO1AGXTSLC6A4
SCHEMBL8304761 0.74 TSHR (0.52) TSHRTACR1IDO1AGXTTAAR1
SCHEMBL17100019 0.74 TSHR (0.52) TSHRTACR1IDO1
SCHEMBL5722244 0.74 TSHR (0.47) TSHRTACR1IDO1AGXTSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US disclosed
US-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US disclosed
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-09-10 US disclosed
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-09-10 US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-7192968-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-20060004009-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 US disclosed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US 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 (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-20060004009-A1 Ethylenediamine derivatives F2, ECE1, MLLT1 TSHR 1606/4885TACR1 1940/4885IDO1 317/4885
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 TSHR 1606/4885TACR1 1940/4885IDO1 317/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 TSHR 1769/4885TACR1 1623/4885IDO1 310/4885

“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.