SCHEMBL4835617

SCHEMBL4835617

O=C(N[C@H](CCC1CCCCC1)C(=S)NC1CCN(Cc2ccccc2)CC1)[C@@H]1CSCN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
DPP7 Q9UHL4 1/20 0.44
KCNH2 Q12809 1/20 0.44
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
SIGMAR1 Q99720 2/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.42
CCR4 P51679 1/20 0.41
CACNA1G O43497 1/20 0.41
KMT2A Q03164 3/20 0.41
DRD4 P21917 2/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
GLA P06280 1/20 0.40
MEN1 O00255 1/20 0.40

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 SCHEMBL5141138 0.99 CYP2C19 (0.45) CYP2C19SMN1; SMN2DPP7KCNH2CHRM2
SCHEMBL5117679 0.92 CACNA1G (0.42) SIGMAR1CACNA1GALDH1A1
SCHEMBL7039415 0.90 SIGMAR1 (0.44) SMN1; SMN2SIGMAR1TSHRDRD4ALDH1A1
SCHEMBL7042545 0.89 NPFFR2 (0.44)
SCHEMBL5756829 0.89 DRD2 (0.42) SMN1; SMN2KMT2ADRD2DRD3ALDH1A1
Hydrochloric Acid SCHEMBL5144791 0.89 SIGMAR1 (0.43) SMN1; SMN2SIGMAR1TSHRDRD4ALDH1A1
Hydrochloric Acid SCHEMBL5144608 0.89 NPFFR2 (0.43)
SCHEMBL7206045 0.86 CYP2C19 (0.46) CYP2C19SMN1; SMN2DPP7KCNH2CHRM2
Hydrochloric Acid SCHEMBL5144757 0.86 CYP2C19 (0.45) CYP2C19SMN1; SMN2DPP7KCNH2CHRM2
SCHEMBL7044043 0.85 CYP2C19 (0.46) CYP2C19SMN1; SMN2DPP7KCNH2CHRM2

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 7 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
US-7427634-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-09-23 US disclosed
US-6903119-B1 Amino acid derivatives and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-07 US disclosed
US-20050009890-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2005-01-13 US disclosed
EP-1097929-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-05-09 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 (2 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-20050009890-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them CACNA1I, CACNA1B, CACNA1A CYP2C19 3373/4885SMN1; SMN2 241/4885DPP7 1399/4885
US-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them CACNA1I, CACNA1S, CACNA1B CYP2C19 3106/4885SMN1; SMN2 172/4885DPP7 1174/4885

“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.