SCHEMBL3994512

SCHEMBL3994512

C=CCOc1cccc2c1CCC2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.50
ADRA2B P18089 2/20 0.50
ADRA2C P18825 2/20 0.50
ABCB1 P08183 2/20 0.49
CYP3A4 P08684 1/20 0.44
CYP2A6 P11509 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
PTPRC P08575 1/20 0.41
HTR1A P08908 2/20 0.41
TSHR P16473 2/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
SLC6A4 P31645 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
LIG1 P18858 1/20 0.40
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 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
SCHEMBL30462587 1.00 ADRA2A (0.50) ADRA2AADRA2BADRA2CABCB1CYP3A4
SCHEMBL11078450 0.91 MRGPRX4 (0.53) ADRA2AADRA2BADRA2CABCB1CYP3A4
SCHEMBL6267277 0.81 ABCB1 (0.49) ABCB1MRGPRX4HTR1ATSHRADRB2
SCHEMBL11127019 0.80 ABCB1 (0.53) ABCB1MRGPRX4HTR1ATSHRADRB2
SCHEMBL24510647 0.79 ABCB1 (0.52) ABCB1CYP2A6MRGPRX4PTPRCHTR1A
SCHEMBL4817908 0.76 ABCB1 (0.50) ABCB1CYP2A6MRGPRX4HTR1ATSHR
SCHEMBL5211628 0.76 ABCB1 (0.50) ABCB1MRGPRX4HTR1ATSHRADRB2
SCHEMBL28349703 0.76 ABCB1 (0.50) ABCB1MRGPRX4HTR1ATSHRADRB2
SCHEMBL28346647 0.76 ABCB1 (0.53) ABCB1MRGPRX4HTR1ATSHRADRB2
SCHEMBL10603137 0.76 ABCB1 (0.50) ABCB1MRGPRX4HTR1ATSHRADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283657-A Indenone derivative and synthetic method and application thereof 贵州大学 2023-06-23 CN disclosed
US-7485655-B2 2-Aminothiazole allosteric enhancers of A1 adenosine receptors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-02-03 US disclosed
EP-1583530-A4 2-AMINOTHIAZOLE ALLOSTERIC ENHANCERS OF A1-ADENOSINE RECEPTORS UNIV VIRGINIA (US) 2008-07-23 EP disclosed
EP-1583530-A1 2-AMINOTHIAZOLE ALLOSTERIC ENHANCERS OF A1-ADENOSINE RECEPTORS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2005-10-12 EP disclosed
US-20050027125-A1 2-Aminothiazole allosteric enhancers of a ?1? adenosine receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-02-03 US disclosed
WO-2003061655-A1 2-AMINOTHIAZOLE ALLOSTERIC ENHANCERS OF A1 ADENOSINE RECEPTORS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2003-07-31 WO 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-20050027125-A1 2-Aminothiazole allosteric enhancers of a ?1? adenosine receptors ADORA1, ADORA2A, ADORA2B ADRA2A 13/4885ADRA2B 26/4885ADRA2C 60/4885

“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.