SCHEMBL6779161

SCHEMBL6779161

COC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)NC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PEPD P12955 3/20 0.47
▸ XPNPEP1 Q9NQW7 2/20 0.47
▸ DPP4 P27487 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ FKBP1A P62942 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ KDM4E B2RXH2 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 SCHEMBL6563446 0.99 PEPD (0.46) PEPDXPNPEP1DPP4POLBFKBP1A
SCHEMBL7378318 0.86 ACE (0.55) PEPDDPP4LMNARAB9AKDM4E
SCHEMBL7378326 0.86 ACE (0.55) PEPDDPP4LMNARAB9AKDM4E
Hydrochloric Acid SCHEMBL6338692 0.84 ACE (0.54) PEPDDPP4LMNARAB9AKDM4E
Hydrochloric Acid SCHEMBL11337063 0.83 DPP4 (0.46) PEPDDPP4SMN1; SMN2LMNAKDM4E
SCHEMBL27015548 0.83 PEPD (0.49) PEPDXPNPEP1POLBFKBP1ASMN1; SMN2
SCHEMBL31448343 0.81 ACE (0.50) PEPDDPP4LMNAKDM4E
SCHEMBL13921121 0.81 PEPD (0.54) PEPDXPNPEP1POLBFKBP1ALMNA
SCHEMBL17040270 0.81 PEPD (0.54) PEPDXPNPEP1POLBFKBP1ALMNA
SCHEMBL20471043 0.81 PEPD (0.54) PEPDXPNPEP1POLBFKBP1ALMNA

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-6774110-B2 ANTITHROMBOTIC ACTIVITY AND HIGH ORAL BIOAVAILABILITY; E.G. N-AMINOSULFONYL-D-DIPHENYLALANYL-L-PROLYL-((4-AMIDINOPHENYL)METHYL)AMIDE LG LIFE SCIENCES LTD. (KR) 2004-08-10 — — US disclosed
US-20020169113-A1 Orally available peptidic thrombin inhibitors LG LIFE SCIENCES LTD. (KR) 2002-11-14 — — 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-20020169113-A1 Orally available peptidic thrombin inhibitors F2, SERPINC1, TFPI PEPD 13/4885XPNPEP1 64/4885DPP4 107/4885

“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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