SCHEMBL6370202

SCHEMBL6370202

CC(=O)CCc1ccc(C)c(Oc2ccc(C(N)=O)cc2)c1C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 18/20 0.45
PARP15 Q460N3 4/20 0.45
PARP4 Q9UKK3 2/20 0.45
PARP14 Q460N5 2/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
PARP16 Q8N5Y8 1/20 0.45
PARP11 Q9NR21 1/20 0.45
PARP2 Q9UGN5 3/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
PARP1 P09874 1/20 0.40
PARP3 Q9Y6F1 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
AOC3 Q16853 1/20 0.36

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
SCHEMBL6435142 0.81 PGR (0.42) PARP10PARP15ALDH1A1KMT2APARP2
SCHEMBL6364507 0.76 PARP10 (0.45) PARP10PARP15PARP4PARP14ALDH1A1
SCHEMBL6371385 0.73 NPSR1 (0.42) PARP10ALDH1A1KMT2APARP1
SCHEMBL14892091 0.68 PARP10 (0.60) PARP10PARP15PARP4PARP14ALDH1A1
SCHEMBL1405107 0.67 ALDH1A1 (0.59) PARP10PARP4ALDH1A1PARP2CA1
SCHEMBL17865510 0.67 PARP10 (0.68) PARP10PARP15PARP4PARP14ALDH1A1
SCHEMBL3137816 0.66 PARP10 (1.00) PARP10PARP15PARP4PARP14ALDH1A1
SCHEMBL6365554 0.66 PARP10 (0.55) PARP10ALDH1A1KMT2A
SCHEMBL6369593 0.66 PARP10 (0.73) PARP10
SCHEMBL8347704 0.66 LMNA (0.46) PARP10PARP15PARP4PARP14ALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043337-A1 Selective beta3 adrenergic agonists RITO CHRISTOPHER J (US) 2005-02-24 US disclosed
US-6686372-B2 ANTIDIABETIC AGENTS; DIETETICS ELI LILLY AND COMPANY 2004-02-03 US disclosed
US-6413991-B1 ANTIDIABETIC AGENTS; DIETETICS ELI LILLY AND COMPANY 2002-07-02 US disclosed
US-6265581-B1 REACTING SPECIFIED EPOXIDE AND AMINE, REACTING PRODUCT WITH ACID TO FORM ACID ADDITION SALT ELI LILLY AND COMPANY 2001-07-24 US disclosed
US-6140352-A FOR AGONIZING THE BETA 3 ADRENERGIC RECEPTOR TO TREAT TYPE II DIABETES AND OBESITY ELI LILLY AND COMPANY (US) 2000-10-31 US disclosed
US-6093735-A TREATMENT OF TYPE II DIABETES AND OBESITY ELI LILLY AND COMPANY (US) 2000-07-25 US disclosed
US-6060492-A SIDE EFFECT REDUCTION ELI LILLY AND COMPANY (US) 2000-05-09 US disclosed
US-6046227-A USEFUL IN THE TREATMENT OF TYPE II DIABETES AND OBESITY; A SUBSTITUTED PYRAZINE COMPOUND ELI LILLY AND COMPANY (US) 2000-04-04 US disclosed
US-5977154-A OBESITY, DIABETES ELI LILLY AND COMPANY (US) 1999-11-02 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-20050043337-A1 Selective beta3 adrenergic agonists ADRB3, ADRB2, ADRB1 PARP10 3439/4885PARP15 2301/4885PARP4 2530/4885

“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.