SCHEMBL6365366

SCHEMBL6365366

CC(=O)CCc1ccccc1C#N

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
LMNA P02545 1/20 0.50
IAPP P10997 1/20 0.50
FFAR1 O14842 1/20 0.47
GALR3 O60755 1/20 0.46
RAB9A P51151 1/20 0.46
TSHR P16473 6/20 0.42
BRD4 O60885 1/20 0.41
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL30740885 0.84 FFAR1 (0.62) FFAR1
SCHEMBL447652 0.84 FFAR1 (0.62) FFAR1
SCHEMBL2410483 0.82 FFAR1 (0.47) ALDH1A1FFAR1GALR3RAB9ATSHR
SCHEMBL4748186 0.81 ALDH1A1 (0.48) ALDH1A1FFAR1GALR3RAB9ATSHR
SCHEMBL12255638 0.81 TSHR (0.56) ALDH1A1LMNAFFAR1TSHRGAA
SCHEMBL26661046 0.79 CYP4F2 (0.63) ALDH1A1FFAR1TSHRGAAHPGD
Phenyl Propionic Acid SCHEMBL5407020 0.78 FFAR1 (0.68) FFAR1RAB9A
SCHEMBL30061341 0.78 ALDH1A1 (0.44) ALDH1A1FFAR1GALR3RAB9ATSHR
SCHEMBL28142733 0.78 FFAR1 (0.47) ALDH1A1FFAR1GALR3RAB9ATSHR
SCHEMBL3115166 0.78 FFAR1 (0.47) ALDH1A1FFAR1GALR3RAB9ATSHR

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 7 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-6617347-B1 Substituted pyrazoles are treatment of Type II diabetes and obesity. ELI LILLY AND COMPANY 2003-09-09 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-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

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 ALDH1A1 763/4885LMNA 2252/4885IAPP 158/4885

“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.