SCHEMBL6743320

SCHEMBL6743320

COOC(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
WNT3 P56703 1/20 0.36
SFRP1 Q8N474 1/20 0.36
ELANE P08246 1/20 0.34
ACE P12821 2/20 0.33
DDB1 Q16531 2/20 0.33
CRBN Q96SW2 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
KLK7 P49862 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC5 Q9UQL6 1/20 0.32
GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL476303 0.88 KMT2A (0.41) CHRM2CHRM1CHRM3WNT3SFRP1
SCHEMBL476304 0.88 KMT2A (0.41) CHRM2CHRM1CHRM3WNT3SFRP1
SCHEMBL540990 0.88 KMT2A (0.41) CHRM2CHRM1CHRM3WNT3SFRP1
SCHEMBL713924 0.88 CHRM2 (0.41) CHRM2CHRM1CHRM3WNT3SFRP1
SCHEMBL12105456 0.88 CHRM2 (0.41) CHRM2CHRM1CHRM3WNT3SFRP1
SCHEMBL1372911 0.88 CHRM2 (0.41) CHRM2CHRM1CHRM3WNT3SFRP1
SCHEMBL30289778 0.88 CHRM2 (0.41) CHRM2CHRM1CHRM3WNT3SFRP1
SCHEMBL2240442 0.83 ACE (0.39) CHRM2CHRM1CHRM3WNT3SFRP1
SCHEMBL4174747 0.82 ACE (0.49) CHRM2CHRM1CHRM3WNT3SFRP1
SCHEMBL20345647 0.82 CHRM2 (0.41) CHRM2CHRM1CHRM3WNT3SFRP1

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-6699855-B2 PYRROLOPYRAZINONES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2004-03-02 US disclosed
US-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-30 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-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease TMPRSS15, CTRC, CPN1 CHRM2 4631/4885CHRM1 4316/4885CHRM3 3480/4885

“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.