SCHEMBL6779162

SCHEMBL6779162

COC(=O)[C@]1(C2CCCCC2)CCCN1C(=O)[C@H](C)N

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.34
DPP7 Q9UHL4 5/20 0.34
FAP Q12884 2/20 0.34
PREP P48147 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.32
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30

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 SCHEMBL6563452 0.99 DPP4 (0.33) DPP4DPP7FAPPREPDPP8
SCHEMBL7378319 0.85 DPP4 (0.36) DPP4DPP7FAPPREPDPP8
Hydrochloric Acid SCHEMBL6338693 0.84 DPP4 (0.35) DPP4DPP7FAPPREPDPP8
SCHEMBL6774749 0.80 MAPT (0.33) DPP4FAPPREPDPP8DPP9
SCHEMBL27698272 0.74 NPSR1 (0.33) MAPT
SCHEMBL6780059 0.73 DPP4 (0.32) DPP4DPP7FAPPREPDPP8
SCHEMBL6980673 0.72
SCHEMBL31367709 0.66 ATM (0.35)
SCHEMBL25435975 0.64 NR1I2 (0.34)
SCHEMBL25435979 0.64 NR1I2 (0.34)

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 DPP4 107/4885DPP7 84/4885FAP 200/4885

“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.