SCHEMBL3339255

SCHEMBL3339255

CC(C(=O)O)C1CC[CH]CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.35
GABRA5 P31644 3/20 0.35
GABRB2 P47870 3/20 0.35
GABRR1 P24046 2/20 0.35
GABRA4 P48169 1/20 0.35
ACE P12821 1/20 0.33
TP53 P04637 1/20 0.32
PPARG P37231 1/20 0.32
TSHR P16473 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
EPHX2 P34913 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
SCHEMBL1904748 0.83
SCHEMBL4706834 0.83
SCHEMBL14599126 0.83
Hydrochloric Acid SCHEMBL8026838 0.80
Ammonia Solution, Strong SCHEMBL27687915 0.80
SCHEMBL21085159 0.79 ACE (0.33) GABRA1GABRA5GABRB2GABRR1GABRA4
SCHEMBL22401388 0.78
SCHEMBL9307 0.78 ACE (0.43) GABRA1GABRA5GABRB2GABRR1GABRA4
SCHEMBL17628753 0.78 ACE (0.43) GABRA1GABRA5GABRB2GABRR1GABRA4
SCHEMBL1931826 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152127-A1 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2010-06-17 US claimed
US-20090170803-A1 ADJUNCTIVE TREATMENT OF BIOLOGICAL DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-07-02 US claimed
US-7217702-B2 Selective antagonists of A2A adenosine receptors ADENOSINE THERAPEUTICS, LLC (US) 2007-05-15 US claimed
US-20050282831-A1 Selective antagonists of A2A adenosine receptors ADENOSINE THERAPEUTICS, LLC 2005-12-22 US claimed
US-10759749-B2 Therapeutic agent for diabetes JCR PHARMACEUTICALS CO., LTD. (JP) 2020-09-01 US disclosed
EP-3508474-A1 NOVEL THERAPEUTIC AGENT FOR DIABETES JCR Pharmaceuticals Co., Ltd. (JP) 2019-07-10 EP disclosed
US-20190202781-A1 NOVEL THERAPEUTIC AGENT FOR DIABETES JCR PHARMACEUTICALS CO., LTD. (JP) 2019-07-04 US disclosed
US-20080176858-A1 SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS ADENOSINE THERAPEUTICS, LLC (US) 2008-07-24 US disclosed
US-20070244134-A1 Selective antagonists of A2A adenosine receptors ADENOSINE THERAPEUTICS, LLC 2007-10-18 US disclosed
US-7217702-B2 Selective antagonists of A2A adenosine receptors ADENOSINE THERAPEUTICS, LLC (US) 2007-05-15 US disclosed
US-20050282831-A1 Selective antagonists of A2A adenosine receptors ADENOSINE THERAPEUTICS, LLC 2005-12-22 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 (7 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-20050282831-A1 Selective antagonists of A2A adenosine receptors ADORA2A, ADORA2B, ADORA3 GABRA1 250/4885GABRA5 174/4885GABRB2 206/4885
US-20090170803-A1 ADJUNCTIVE TREATMENT OF BIOLOGICAL DISEASES ADORA2A, PDE4A, PDE4B GABRA1 460/4885GABRA5 254/4885GABRB2 554/4885
US-20070244134-A1 Selective antagonists of A2A adenosine receptors ADORA2A, ADORA1, ADORA2B GABRA1 219/4885GABRA5 202/4885GABRB2 293/4885
US-20190202781-A1 NOVEL THERAPEUTIC AGENT FOR DIABETES GPR119, IAPP, DPP4 GABRA1 1864/4885GABRA5 2038/4885GABRB2 377/4885
US-20100152127-A1 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF ADORA2A, ADORA3, ADORA1 GABRA1 543/4885GABRA5 478/4885GABRB2 807/4885
US-10759749-B2 Therapeutic agent for diabetes GPR119, IAPP, DPP4 GABRA1 1447/4885GABRA5 1709/4885GABRB2 676/4885
US-20080176858-A1 SELECTIVE ANTAGONISTS OF A2A ADENOSINE RECEPTORS ADORA2A, ADORA1, ADORA2B GABRA1 219/4885GABRA5 202/4885GABRB2 293/4885

“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.