SCHEMBL6774749

SCHEMBL6774749

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 2/20 0.31
ABCB11 O95342 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CHRM3 P20309 1/20 0.31
DRD1 P21728 1/20 0.31
HRH2 P25021 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL6779162 0.80 DPP4 (0.34) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL6563452 0.79 DPP4 (0.33) MAPTDPP4PREPFAPDPP8
SCHEMBL27698272 0.75 NPSR1 (0.33) MAPTPRSS1TPSAB1TPSD1TPSG1
SCHEMBL6967777 0.72 ALDH1A1 (0.33) ALDH1A1
SCHEMBL6166415 0.69 MAPT (0.42) MAPTTSHRDPP4PREPFAP
SCHEMBL8812477 0.69
SCHEMBL8381838 0.68 DPP4 (0.43) ALDH1A1DPP4PREPFAP
SCHEMBL5900915 0.68 MEN1 (0.44) ALDH1A1TSHRSIGMAR1MEN1KMT2A
SCHEMBL6169498 0.68 MAPT (0.43) MAPTTSHRDPP4PREPFAP
SCHEMBL5901089 0.67 EPHX1 (0.33) ALDH1A1

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 MAPT 4691/4885ALDH1A1 4664/4885CYP3A4 920/4885

“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.