SCHEMBL741692

SCHEMBL741692

N[C@H]1CC(OCc2ccccc2)C[C@@H]1N

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
CTSK P43235 1/20 0.50
DPP4 P27487 1/20 0.49
NAAA Q02083 3/20 0.46
OPRM1 P35372 2/20 0.45
OPRL1 P41146 2/20 0.45
IDO1 P14902 1/20 0.45
KDM1A O60341 7/20 0.44
AGXT P21549 1/20 0.43
TSHR P16473 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
PRMT8 Q9NR22 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 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
SCHEMBL741693 1.00 CTSL (0.50) CTSLCTSBCTSKDPP4NAAA
SCHEMBL15259415 1.00 CTSL (0.50) CTSLCTSBCTSKDPP4NAAA
SCHEMBL741694 1.00 CTSL (0.50) CTSLCTSBCTSKDPP4NAAA
SCHEMBL11900955 0.88 CTSL (0.50) CTSLCTSBCTSKDPP4NAAA
SCHEMBL3828230 0.88 CTSL (0.50) CTSLCTSBCTSKDPP4NAAA
SCHEMBL2633959 0.88 CTSL (0.50) CTSLCTSBCTSKDPP4NAAA
SCHEMBL31200884 0.88 CTSL (0.44) CTSLCTSBCTSKDPP4NAAA
SCHEMBL15259373 0.88 CTSL (0.44) CTSLCTSBCTSKDPP4NAAA
SCHEMBL31200698 0.88 CTSL (0.44) CTSLCTSBCTSKDPP4NAAA
SCHEMBL31614154 0.88 CTSL (0.44) CTSLCTSBCTSKDPP4NAAA

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 9 patents. 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-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-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-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 CTSL 3622/4885CTSB 3993/4885CTSK 4425/4885
US-20090227789-A1 ETHYLENEDIAMINE DERIVATIVES F2, ECE1, MLLT1 CTSL 3622/4885CTSB 3993/4885CTSK 4425/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 CTSL 2488/4885CTSB 3587/4885CTSK 3685/4885

“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.