SCHEMBL14054136

SCHEMBL14054136

Cc1cc(C(=O)NCCC(=O)OC(C)(C)C)ccc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPRC P08575 2/20 0.47
▸ CHRNA1 P02708 1/20 0.44
▸ CHRNG P07510 1/20 0.44
▸ CHRNB1 P11230 1/20 0.44
▸ CHRNB2 P17787 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ CHRNB4 P30926 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ CHRNA3 P32297 1/20 0.44
▸ CHRNA4 P43681 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ CHRND Q07001 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ DGAT2 Q96PD7 1/20 0.42
▸ ESRRG P62508 1/20 0.42
▸ HPGD P15428 2/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40

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
SCHEMBL14054306 0.82 NPC1 (0.52) SMN1; SMN2HPGDALDH1A1PRSS1CTSG
SCHEMBL14054114 0.82 CA1 (0.54) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL18897013 0.81 NPC1 (0.56) SMN1; SMN2ALDH1A1PRSS1CTSGCTRB1
SCHEMBL436277 0.78 KMT2A (0.55) PTPRCCHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL2644738 0.78 PRSS1 (0.50) PTPRCMAPTSMN1; SMN2DGAT2HPGD
SCHEMBL13605086 0.78 RAB9A (0.57) MAPTSMN1; SMN2ESRRGHPGDALDH1A1
SCHEMBL2268285 0.78 ESRRG (0.54) PTPRCMAPTSMN1; SMN2ESRRGHPGD
SCHEMBL9300437 0.78 HPGD (0.60) MAPTSMN1; SMN2HPGDALDH1A1KMT2A
SCHEMBL9435241 0.78 HPGD (0.55) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL451696 0.77 LMNA (0.54) MAPTSMN1; SMN2ALDH1A1LMNAPOLB

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-9045389-B2 Biphenyl derivatives useful as glucagon receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2015-06-02 — — US disclosed
EP-2714647-B1 BIPHENYL DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2015-04-29 — — EP disclosed
US-20120302641-A1 BIPHENYL DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 — — US disclosed
WO-2012162409-A1 BIPHENYL DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 — — 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-20120302641-A1 BIPHENYL DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS GPR119, GIPR, GLP1R PTPRC 1071/4885CHRNA1 1594/4885CHRNG 664/4885

“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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