SCHEMBL1345455

SCHEMBL1345455

N=C(NCC[C@H](N)C(=O)O)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 3/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALOX15 P16050 1/20 0.37
HPGD P15428 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
ANPEP P15144 1/20 0.36

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
SCHEMBL1345155 0.86 DPP7 (0.40) ALOX15
SCHEMBL1345597 0.85 DPP7 (0.42) ALDH1A1ALOX15
SCHEMBL1769490 0.85 HTT (0.53) SMN1; SMN2ALDH1A1GAATSHRKDM4E
SCHEMBL1769493 0.85 HTT (0.53) SMN1; SMN2ALDH1A1GAATSHRKDM4E
SCHEMBL1768813 0.80 HTT (0.48) SMN1; SMN2ALDH1A1LMNAHTTHSD17B10
SCHEMBL1768811 0.80 HTT (0.48) SMN1; SMN2ALDH1A1LMNAHTTHSD17B10
SCHEMBL13585349 0.79 TAAR1 (0.51) SMN1; SMN2ALDH1A1TSHRLMNAHSD17B10
SCHEMBL13585347 0.79 TAAR1 (0.51) SMN1; SMN2ALDH1A1TSHRLMNAHSD17B10
SCHEMBL1768474 0.78 TSHR (0.52) SMN1; SMN2ALDH1A1GAATSHRKDM4E
SCHEMBL1768478 0.78 TSHR (0.52) SMN1; SMN2ALDH1A1GAATSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828109-B1 GUANIDINE DERIVATIVES AS INHIBITORS OF DDAH UCL BUSINESS PLC (GB) 2013-06-05 EP disclosed
US-8063104-B2 Guanidine derivatives as inhibitors of DDAH UCL BUSINESS PLC (GB) 2011-11-22 US disclosed
US-20090069331-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF DDAH UCL Biomedica PLC c/o Finance Division University College of London (GB) 2009-03-12 US 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 (1 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-20090069331-A1 GUANIDINE DERIVATIVES AS INHIBITORS OF DDAH DDAH1, DOHH, IMPDH1 SMN1; SMN2 1730/4885ALDH1A1 123/4885GAA 47/4885

“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.