SCHEMBL5113513

SCHEMBL5113513

CC(C)(C)OC(=O)N[C@H](CCC1CCCCC1)C(=S)Nc1ccc(CN2CCOCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.45
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 5/20 0.43
MAPK1 P28482 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
HIF1A Q16665 1/20 0.43
EPAS1 Q99814 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
ENPP2 Q13822 1/20 0.42
TSHR P16473 1/20 0.42
STAT3 P40763 1/20 0.42

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
SCHEMBL5117026 0.85 ENPP2 (0.40) HRH3LMNASMN1; SMN2MAPK1ALDH1A1
SCHEMBL5113506 0.82 HRH3 (0.43) HRH3LMNASMN1; SMN2MAPK1ALDH1A1
SCHEMBL5113614 0.80 ENPP2 (0.42) HRH3LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL5116831 0.80 CHRM2 (0.46) HRH3SMN1; SMN2ALDH1A1TSHR
SCHEMBL5355126 0.80 MAPK14 (0.42) LMNASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL5118772 0.79 SIGMAR1 (0.45)
SCHEMBL5116779 0.79 BCHE (0.51) LMNASMN1; SMN2MAPK1ALDH1A1KMT2A
SCHEMBL5116776 0.79 BCHE (0.51) LMNASMN1; SMN2MAPK1ALDH1A1KMT2A
SCHEMBL5113701 0.79 BCHE (0.51) LMNASMN1; SMN2MAPK1ALDH1A1KMT2A
SCHEMBL5110138 0.79 BCHE (0.51) LMNASMN1; SMN2MAPK1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2003-12-18 US claimed
EP-1090912-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-04-11 EP claimed
US-7351721-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-01 US disclosed
US-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2003-12-18 US disclosed
US-6605608-B1 Such as n-(1-benzylpiperidin-4-yl)-3-cyclohexylmethylthio-2-((4R)-3-t -butoxycarbonylthiazolidin-4-ylcarbonylamino)propan-a mide; n-type calcium channel inhibitors ONO PHARMACEUTICAL CO., LTD (JP) 2003-08-12 US disclosed
EP-1090912-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-04-11 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 (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-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them CACNA1I, CACNA1S, CACNA1B HRH3 1396/4885LMNA 1043/4885SMN1; SMN2 172/4885

“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.