SCHEMBL643232

SCHEMBL643232

CC(=O)N1CC=CC1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 4/20 0.49
ACE P12821 1/20 0.40
POLB P06746 1/20 0.32
PRSS1 P07477 1/20 0.30
TPSAB1 Q15661 1/20 0.30
NRP1 O14786 1/20 0.30
MMP2 P08253 1/20 0.30
ANPEP P15144 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
SCHEMBL1075993 0.83 ACE (0.43) PIN1ACE
SCHEMBL28727117 0.81 ACE (0.58) PIN1ACEPOLB
SCHEMBL247111 0.81 ACE (0.58) PIN1ACEPOLB
SCHEMBL1022805 0.77 PIN1 (0.42) PIN1ACEPOLB
SCHEMBL29624413 0.76 MMP2 (0.42) PIN1ACEMMP2ANPEP
SCHEMBL5787348 0.70 PIN1 (0.43) PIN1ACENRP1
SCHEMBL2687375 0.69 POLB (0.35) PIN1POLB
SCHEMBL17966432 0.69 ATM (0.36) PIN1POLBMMP2ANPEP
SCHEMBL3403167 0.69 POLB (0.35) PIN1POLB
SCHEMBL3400563 0.68 POLB (0.34) POLB

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
CN-102791693-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2012-11-21 CN claimed
US-8119673-B2 Compounds 148 ASTRAZENECA AB (SE) 2012-02-21 US disclosed
US-20110130432-A1 Heterocyclic Carboxamides For Use As Thrombin Inhibitors ASTRAZENECA AB (SE) 2011-06-02 US disclosed
US-20090318517-A1 Novel Compounds 148 ASTRAZENECA AB (SE) 2009-12-24 US disclosed
US-20090012087-A1 New Aza-Bicyclohexane Compounds Useful As Inhibitors Of Thrombin ASTRAZENECA AB (SE) 2009-01-08 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 (3 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-20110130432-A1 Heterocyclic Carboxamides For Use As Thrombin Inhibitors TFPI, TFPI2, SPINT2 PIN1 827/4885ACE 60/4885POLB 4327/4885
US-20090318517-A1 Novel Compounds 148 SERPINB1, SPINT2, TFPI PIN1 1135/4885ACE 83/4885POLB 4185/4885
US-20090012087-A1 New Aza-Bicyclohexane Compounds Useful As Inhibitors Of Thrombin TFPI, TFPI2, ADAMTS1 PIN1 916/4885ACE 94/4885POLB 2025/4885

“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.