SCHEMBL16384377

SCHEMBL16384377

CN[C@@H](CCCCNC(=O)C(C)C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ FOLH1 Q04609 7/20 0.44
▸ CACNA1B Q00975 2/20 0.41
▸ FNTA P49354 2/20 0.40
▸ FNTB P49356 2/20 0.40
▸ NOD1 Q9Y239 1/20 0.39
▸ SIRT6 Q8N6T7 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ TLR2 O60603 1/20 0.39
▸ DPP7 Q9UHL4 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH1A2 O94788 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ ALDH2 P05091 1/20 0.37
▸ ALDH1A3 P47895 1/20 0.37
▸ GNAI3 P08754 1/20 0.36
▸ GNAO1 P09471 1/20 0.36

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
SCHEMBL25360859 0.88 FOLH1 (0.43) KMT2AFOLH1CACNA1BFNTAFNTB
SCHEMBL25357888 0.88 FOLH1 (0.43) KMT2AFOLH1CACNA1BFNTAFNTB
SCHEMBL25357890 0.88 FOLH1 (0.43) KMT2AFOLH1CACNA1BFNTAFNTB
SCHEMBL16384385 0.85 FOLH1 (0.41) FOLH1CACNA1BFNTAFNTBNOD1
SCHEMBL24308138 0.85 SIRT6 (0.41) CYP2D6CYP2C9CYP2C19KMT2AFOLH1
SCHEMBL32679725 0.85 FOLH1 (0.50) CYP2D6CYP2C9CYP2C19KMT2AFOLH1
SCHEMBL16384285 0.84 CACNA1B (0.46) KMT2AFOLH1CACNA1BFNTAFNTB
SCHEMBL15302107 0.84 FOLH1 (0.47) FOLH1FNTAFNTBNOD1SMN1; SMN2
SCHEMBL21952377 0.82 FOLH1 (0.62) FOLH1SIRT6SIRT1SMN1; SMN2
SCHEMBL16556662 0.82 FOLH1 (0.62) FOLH1SIRT6SIRT1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 — — US claimed
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 — — US disclosed
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 — — US disclosed
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 — — US disclosed
US-20150005319-A1 MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 ENSEMBLE THERAPEUTICS CORPORATION 2015-01-01 — — 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 (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-20150005319-A1 MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 IL17A, IL15, IL2 CYP2D6 594/4885CYP2C9 681/4885CYP2C19 95/4885
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP CYP2D6 4616/4885CYP2C9 4594/4885CYP2C19 4614/4885

“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.

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