SCHEMBL5123671

SCHEMBL5123671

CN(C(=O)[C@H](CSCC1CCCCC1)NC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C)C1CCN(Cc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.49
ATM Q13315 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CHRM4 P08173 5/20 0.34
USP30 Q70CQ3 1/20 0.34
REN P00797 1/20 0.34
CCR4 P51679 1/20 0.34
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7043902 0.96 CACNA1B (0.51) CACNA1BATMHSD17B10RENCCR4
Hydrochloric Acid SCHEMBL5109956 0.95 CACNA1B (0.50) CACNA1BATMHSD17B10RENCCR4
SCHEMBL7037279 0.88 CACNA1B (0.48) CACNA1BATMHSD17B10RENCCR4
Hydrochloric Acid SCHEMBL5139080 0.88 CACNA1B (0.48) CACNA1BATMHSD17B10RENCCR4
SCHEMBL5123677 0.86 ATM (0.40) CACNA1BATMHSD17B10CHRM4USP30
SCHEMBL5114526 0.86 CACNA1B (0.48) CACNA1BATMHSD17B10RENCCR4
SCHEMBL5118854 0.85 BCHE (0.44) CACNA1BCHRM4REN
SCHEMBL5124105 0.85 CACNA1B (0.55) CACNA1BATMHSD17B10RENCYP2C19
SCHEMBL5123440 0.85 CACNA1B (0.55) CACNA1BATMHSD17B10RENCYP2C19
SCHEMBL5123424 0.85 CACNA1B (0.55) CACNA1BATMHSD17B10RENCYP2C19

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 9 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-7351721-B2 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-01 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
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 CACNA1B 3/4885ATM 2618/4885HSD17B10 4741/4885

“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.