SCHEMBL26914477

SCHEMBL26914477

Nc1cc(I)ccc1NCC1CCO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ HCAR3 P49019 1/20 0.38
▸ PTGER4 P35408 1/20 0.36
▸ KCNH3 Q9ULD8 2/20 0.35
▸ RAB9A P51151 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ BACE2 Q9Y5Z0 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ PDE3B Q13370 3/20 0.32
▸ PDE3A Q14432 3/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HPGD P15428 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
SCHEMBL24306171 1.00 KMT2A (0.39) KMT2AMEN1HCAR3PTGER4KCNH3
SCHEMBL26160508 0.88 KMT2A (0.37) KMT2AMEN1HCAR3KCNH3RAB9A
SCHEMBL26914178 0.82 AAK1 (0.44) KMT2AMEN1HCAR3PTGER4RAB9A
SCHEMBL24306614 0.82 AAK1 (0.44) KMT2AMEN1HCAR3PTGER4RAB9A
SCHEMBL29586014 0.78 ALDH1A1 (0.48) KMT2AMEN1HCAR3PTGER4RAB9A
SCHEMBL24306243 0.78 ALDH1A1 (0.48) KMT2AMEN1HCAR3PTGER4RAB9A
SCHEMBL26914375 0.78 ALDH1A1 (0.48) KMT2AMEN1HCAR3PTGER4RAB9A
SCHEMBL30233310 0.78 KCNH3 (0.44) KMT2AMEN1KCNH3RAB9AALDH1A1
SCHEMBL25366974 0.77 HCAR3 (0.59) KMT2AMEN1HCAR3PTGER4RAB9A
SCHEMBL25366978 0.77 HCAR3 (0.59) KMT2AMEN1HCAR3PTGER4RAB9A

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-20240083886-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. 2024-03-14 — — US disclosed
US-20230391760-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. 2023-12-07 — — US disclosed
CN-116547278-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2023-08-04 — — CN disclosed
CN-116547279-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2023-08-04 — — CN 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 (2 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-20230391760-A1 HETEROCYCLIC GLP-1 AGONISTS GLP1R, GIPR, GCGR KMT2A 4116/4885MEN1 517/4885HCAR3 393/4885
US-20240083886-A1 HETEROCYCLIC GLP-1 AGONISTS GLP1R, GIPR, GCGR KMT2A 4175/4885MEN1 370/4885HCAR3 310/4885

“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.

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