SCHEMBL23767655

SCHEMBL23767655

COC(=O)c1ccc(N)c(NCC(C)(C)C#N)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 2/20 0.36
ALDH1A1 P00352 8/20 0.33
KDM4E B2RXH2 6/20 0.33
HPGD P15428 4/20 0.33
MAPT P10636 3/20 0.33
GAA P10253 3/20 0.33
HSD17B10 Q99714 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
PTGER4 P35408 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPK8 P45983 3/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CFTR P13569 2/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32

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
SCHEMBL25220286 0.81 MAPT (0.39) ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL30080322 0.81 MAPT (0.39) ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL25539762 0.78 ALDH1A1 (0.33) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL23753892 0.76 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL23767816 0.76 KCNH2 (0.32) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL23286239 0.75 PTGER4 (0.44) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL31463457 0.74 JAK2 (0.35) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL23703943 0.74 JAK2 (0.35) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL23286815 0.73 HDAC1 (0.46) ALDH1A1KDM4EHPGDMAPTGAA
SCHEMBL23286161 0.73 ALDH1A1 (0.35) ALDH1A1KDM4EHPGDMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230165846-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. 2023-06-01 US disclosed
US-20230165846-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. 2023-06-01 US disclosed
CN-115697999-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2023-02-03 CN disclosed
WO-2021160127-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. (US) 2021-08-19 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-20230165846-A1 HETEROCYCLIC GLP-1 AGONISTS GLP1R, GIPR, GCGR MBOAT4 486/4885ALDH1A1 1368/4885KDM4E 3992/4885

“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.