SCHEMBL17897204

SCHEMBL17897204

CCn1cncc1CC(C)C

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.40
ACE2 Q9BYF1 4/20 0.36
ACE P12821 3/20 0.36
HTR7 P34969 5/20 0.33
HTR6 P50406 5/20 0.33
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
SSTR3 P32745 1/20 0.32
HTR1A P08908 3/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL13253965 0.84 POLB (0.36) KCNH2ACE2ACE
SCHEMBL23844562 0.82 ACE2 (0.35) ACE2ACECYP11B1CYP11B2
SCHEMBL10233671 0.79
SCHEMBL21216513 0.77 ACACB (0.44) ACE2ACECYP11B1CYP11B2
SCHEMBL27110119 0.77 CYP11B2 (0.39) KCNH2ACE2ACECYP11B1CYP11B2
SCHEMBL16886104 0.76 KCNH2 (0.38) KCNH2HTR7HTR6CYP11B1CYP11B2
SCHEMBL858930 0.75
SCHEMBL104487 0.75 CHRM5 (0.39) HTR2A
SCHEMBL17493899 0.75
SCHEMBL25404428 0.75

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
WO-2024138048-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. (US) 2024-06-27 WO disclosed
US-20240067630-A1 ARYL ETHER-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS GLP1R AGONISTS MINDRANK AI LTD. (CN) 2024-02-29 US disclosed
US-20240067630-A1 ARYL ETHER-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS GLP1R AGONISTS MINDRANK AI LTD. (CN) 2024-02-29 US disclosed
US-20230192633-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. 2023-06-22 US disclosed
US-9676780-B2 Piperazine-substituted [1,2,4]triazolo[1,5-C]quinazolin-5-amine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2017-06-13 US disclosed
US-9676780-B2 Piperazine-substituted [1,2,4]triazolo[1,5-C]quinazolin-5-amine compounds with A2A antagonist properties MERCK SHARP & DOHME CORP. (US) 2017-06-13 US disclosed
US-20160194330-A1 PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME CORP. (US) 2016-07-07 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-20230192633-A1 HETEROCYCLIC GLP-1 AGONISTS GLP1R, GIPR, GCGR KCNH2 1417/4885ACE2 3140/4885ACE 2541/4885
US-20240067630-A1 ARYL ETHER-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS GLP1R AGONISTS GLP1R, GIPR, GCGR KCNH2 616/4885ACE2 2143/4885ACE 1582/4885
US-20160194330-A1 PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES ADORA2A, ADORA1, ADORA3 KCNH2 1014/4885ACE2 2343/4885ACE 4235/4885

“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.