SCHEMBL5116971

SCHEMBL5116971

C[C@@H](NC(=O)C1SCCN1C(=O)OC(C)(C)C)C(=O)NSC(C1CCCCC1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
CYP2C19 P33261 1/20 0.45
GPR119 Q8TDV5 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ACKR3 P25106 3/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL6705786 0.87 CYP2C19 (0.45) SMN1; SMN2CYP2C19GPR119ALDH1A1CYP2D6
SCHEMBL7772470 0.87 SMN1; SMN2 (0.41) SMN1; SMN2CYP2C19GPR119ALDH1A1CYP2D6
SCHEMBL6363547 0.84 CYP2C19 (0.44) SMN1; SMN2CYP2C19GPR119ALDH1A1CYP2D6
SCHEMBL7774527 0.79 MEN1 (0.43) SMN1; SMN2CYP2C19ALDH1A1ACKR3
SCHEMBL7107121 0.78 MMP13 (0.35)
SCHEMBL5116966 0.78 CYP2C19 (0.47) SMN1; SMN2CYP2C19ALDH1A1
SCHEMBL7772734 0.77 SMN1; SMN2 (0.44) SMN1; SMN2CYP2C19ALDH1A1CYP2D6CYP2C9
SCHEMBL7110085 0.77 USP21 (0.39) ALDH1A1MAPT
SCHEMBL7768806 0.77 SMN1; SMN2 (0.43) SMN1; SMN2CYP2C19ALDH1A1CYP2D6CYP2C9
SCHEMBL5117748 0.77 CYP2C19 (0.45) SMN1; SMN2CYP2C19ALDH1A1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 SMN1; SMN2 172/4885CYP2C19 3106/4885GPR119 631/4885

“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.