SCHEMBL7042545

SCHEMBL7042545

O=C(N[C@H](CCC1CCCCC1)C(=S)NCC1CCN(Cc2ccccc2)CC1)[C@@H]1CSCN1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPFFR2 Q9Y5X5 1/20 0.44
HDAC3 O15379 3/20 0.42
HDAC4 P56524 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC7 Q8WUI4 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC10 Q969S8 3/20 0.42
HDAC11 Q96DB2 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC9 Q9UKV0 3/20 0.42
HDAC5 Q9UQL6 3/20 0.42
BCHE P06276 4/20 0.41
ACHE P22303 6/20 0.41
FAAH O00519 1/20 0.41

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 SCHEMBL5144608 0.99 NPFFR2 (0.43) NPFFR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL7040729 0.90 ACHE (0.43) BCHEACHEFAAH
SCHEMBL4835617 0.89 CYP2C19 (0.45)
Hydrochloric Acid SCHEMBL5147970 0.89 ACHE (0.42) BCHEACHEFAAH
Hydrochloric Acid SCHEMBL5141138 0.89 CYP2C19 (0.45)
SCHEMBL7042539 0.83 NPFFR2 (0.44) NPFFR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL7042285 0.82 CHRM4 (0.39) HDAC1ACHE
Hydrochloric Acid SCHEMBL5144606 0.82 NPFFR2 (0.44) NPFFR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL5118229 0.82 HTT (0.42) BCHE
SCHEMBL5117679 0.82 CACNA1G (0.42)

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 NPFFR2 826/4885HDAC3 4188/4885HDAC4 4261/4885

“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.