SCHEMBL4564775

SCHEMBL4564775

CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N[C@H](CCC1CCCCC1)C(=S)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.41
CACNA1B Q00975 1/20 0.41
HSD17B10 Q99714 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL5124110 1.00 CYP2C19 (0.44) CYP2C19SMN1; SMN2TSHRATMCACNA1B
SCHEMBL5123437 1.00 CYP2C19 (0.44) CYP2C19SMN1; SMN2TSHRATMCACNA1B
SCHEMBL5124757 1.00 CYP2C19 (0.44) CYP2C19SMN1; SMN2TSHRATMCACNA1B
SCHEMBL5123449 1.00 CYP2C19 (0.44) CYP2C19SMN1; SMN2TSHRATMCACNA1B
Hydrochloric Acid SCHEMBL5117576 0.99 CYP2C19 (0.44) CYP2C19SMN1; SMN2TSHRATMCACNA1B
Bromide SCHEMBL5123871 0.99 CYP2C19 (0.44) CYP2C19SMN1; SMN2TSHRATMCACNA1B
SCHEMBL5117048 0.99 CYP2C19 (0.43) CYP2C19SMN1; SMN2TSHRATMCACNA1B
Hydrochloric Acid SCHEMBL5125644 0.99 CYP2C19 (0.43) CYP2C19SMN1; SMN2TSHRATMCACNA1B
SCHEMBL5110234 0.94 CTSL (0.40) CYP2C19SMN1; SMN2ATMCACNA1BHSD17B10
SCHEMBL5123989 0.94 CYP2C19 (0.44) CYP2C19SMN1; SMN2TSHRDPP7MEN1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096924-A1 Amorphous Composition ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-24 US claimed
EP-1829549-A1 AMORPHOUS COMPOSITION ONO PHARMACEUTICAL CO., LTD. (JP) 2007-09-05 EP claimed
US-20040067891-A1 Therapeutic and/or preventive agents for diseases due to retinal ischemia ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-08 US claimed
US-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2003-12-18 US claimed
EP-1356817-A1 THERAPEUTIC AND/OR PREVENTIVE AGENTS FOR DISEASES DUE TO RETINAL ISCHEMIA ONO PHARMACEUTICAL CO., LTD. (JP) 2003-10-29 EP 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-20090292021-A1 ANTICONVULSIVE PHARMACEUTICAL COMPOSITIONS INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA REC (FR) 2009-11-26 US disclosed
EP-2046320-A2 ANTICONVULSIVE PHARMACEUTICAL COMPOSITIONS INSERM (Institut National de la Santé et de la Recherche Medicale) (FR) 2009-04-15 EP disclosed
US-20080096924-A1 Amorphous Composition ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-24 US disclosed
US-20080096924-A1 Amorphous Composition ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-24 US disclosed
US-7351721-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-01 US disclosed
WO-2008015202-A2 ANTICONVULSIVE PHARMACEUTICAL COMPOSITIONS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2008-02-07 WO disclosed
US-20040067891-A1 Therapeutic and/or preventive agents for diseases due to retinal ischemia ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-08 US disclosed
US-20040067891-A1 Therapeutic and/or preventive agents for diseases due to retinal ischemia ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-08 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
EP-1356817-A1 THERAPEUTIC AND/OR PREVENTIVE AGENTS FOR DISEASES DUE TO RETINAL ISCHEMIA ONO PHARMACEUTICAL CO., LTD. (JP) 2003-10-29 EP disclosed
EP-1356817-A1 THERAPEUTIC AND/OR PREVENTIVE AGENTS FOR DISEASES DUE TO RETINAL ISCHEMIA ONO PHARMACEUTICAL CO., LTD. (JP) 2003-10-29 EP 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 (4 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-20080096924-A1 Amorphous Composition CACNA1B, CACNA1I, TRPV1 CYP2C19 1197/4885SMN1; SMN2 814/4885TSHR 4272/4885
US-20040067891-A1 Therapeutic and/or preventive agents for diseases due to retinal ischemia ALDH1A2, RBP4, GPR119 CYP2C19 4841/4885SMN1; SMN2 1712/4885TSHR 2097/4885
US-20090292021-A1 ANTICONVULSIVE PHARMACEUTICAL COMPOSITIONS GABRE, GABRP, GABRB2 CYP2C19 597/4885SMN1; SMN2 769/4885TSHR 4741/4885
US-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them CACNA1I, CACNA1S, CACNA1B CYP2C19 3106/4885SMN1; SMN2 172/4885TSHR 4788/4885

“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.