SCHEMBL7040729

SCHEMBL7040729

COc1ccc(CN2CCC(CNC(=S)[C@@H](CCC3CCCCC3)NC(=O)[C@@H]3CSCN3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.43
FAAH O00519 2/20 0.43
MCHR1 Q99705 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CHRM4 P08173 2/20 0.40
GSK3B P49841 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
BCHE P06276 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
Hydrochloric Acid SCHEMBL5147970 0.99 ACHE (0.42) ACHEFAAHMCHR1HRH3CHRM4
SCHEMBL7039415 0.90 SIGMAR1 (0.44) MCHR1HRH3SMN1; SMN2
SCHEMBL7042545 0.90 NPFFR2 (0.44) ACHEFAAHBCHE
Hydrochloric Acid SCHEMBL5144791 0.90 SIGMAR1 (0.43) MCHR1HRH3SMN1; SMN2
Hydrochloric Acid SCHEMBL5144608 0.89 NPFFR2 (0.43) ACHEFAAHMAOBBCHE
SCHEMBL5344813 0.87 ALDH1A1 (0.46) SMN1; SMN2MEN1KMT2A
SCHEMBL4845539 0.87 ALDH1A1 (0.46) SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL5343346 0.86 ALDH1A1 (0.45) SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL5363345 0.86 ALDH1A1 (0.45) SMN1; SMN2MEN1KMT2A
SCHEMBL7040723 0.84 CACNA1B (0.44) ACHEFAAHMCHR1HRH3GSK3B

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
US-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2003-12-18 US claimed
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 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

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 ACHE 165/4885FAAH 1020/4885MCHR1 4637/4885

“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.