SCHEMBL22354532

SCHEMBL22354532

CC(C)(C)C1CC(=O)N(CCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.39
▸ ITGAV P06756 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ SIGMAR1 Q99720 3/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CACNA1H O95180 4/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34

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
SCHEMBL23817079 1.00 ITGB3 (0.39) ITGB3ITGAVALDH1A1SIGMAR1L3MBTL1
SCHEMBL15362287 0.84 ITGB3 (0.41) ITGB3ITGAVALDH1A1SIGMAR1L3MBTL1
SCHEMBL19016242 0.84 ITGB3 (0.41) ITGB3ITGAVALDH1A1SIGMAR1L3MBTL1
SCHEMBL19016233 0.82 ALDH1A1 (0.44) ITGB3ITGAVALDH1A1SIGMAR1L3MBTL1
SCHEMBL10036356 0.82 ITGB3 (0.41) ITGB3ITGAVALDH1A1SIGMAR1L3MBTL1
SCHEMBL16602341 0.81 ITGB3 (0.46) ITGB3ITGAVALDH1A1SIGMAR1L3MBTL1
SCHEMBL24589222 0.80 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL24588472 0.80 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL25955621 0.77 DRD4 (0.38) ALDH1A1CACNA1HKCNH2
SCHEMBL22354583 0.77 ALDH1A1 (0.33) ALDH1A1L3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046743-B2 Selective glucagon receptor agonists comprising a chelating moiety for imaging purposes ANTAROS MEDICAL AB (SE) 2021-06-29 — — US disclosed
EP-3389697-B1 SELECTIVE GLUCAGON RECEPTOR AGONISTS COMPRISING A CHELATING MOIETY FOR IMAGING PURPOSES ANTAROS MEDICAL AB (SE) 2020-12-16 — — EP disclosed
US-20200262885-A1 SELECTIVE GLUCAGON RECEPTOR AGONISTS COMPRISING A CHELATING MOIETY FOR IMAGING PURPOSES ANTAROS MEDICAL AB (SE) 2020-08-20 — — 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 (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-20200262885-A1 SELECTIVE GLUCAGON RECEPTOR AGONISTS COMPRISING A CHELATING MOIETY FOR IMAGING PURPOSES GLP1R, GCGR, GIPR ITGB3 2215/4885ITGAV 2336/4885ALDH1A1 4763/4885
US-11046743-B2 Selective glucagon receptor agonists comprising a chelating moiety for imaging purposes GLP1R, GCGR, GIPR ITGB3 2215/4885ITGAV 2336/4885ALDH1A1 4763/4885

“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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