SCHEMBL2897693

SCHEMBL2897693

COC(=O)[C@H](Cc1ccc(OCC[C@@H](C)C2CCN(c3nc(C(C)C)no3)CC2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 6/20 0.42
HRH1 P35367 6/20 0.42
YAP1 P46937 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
GPR119 Q8TDV5 4/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CACNA1B Q00975 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAPK1 P28482 1/20 0.38
IL1RN P18510 1/20 0.37
ERAP2 Q6P179 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL2898097 1.00 HRH2 (0.42) HRH2HRH1YAP1ITGB3ITGA2B
SCHEMBL2897695 1.00 HRH2 (0.42) HRH2HRH1YAP1ITGB3ITGA2B
SCHEMBL2894161 0.93 ITGB3 (0.49) HRH2HRH1YAP1ITGB3ITGA2B
SCHEMBL2894162 0.93 ITGB3 (0.49) HRH2HRH1YAP1ITGB3ITGA2B
SCHEMBL2892006 0.93 ITGB3 (0.49) HRH2HRH1YAP1ITGB3ITGA2B
SCHEMBL13026953 0.90 GPR119 (0.49) HRH2HRH1YAP1ITGB3ITGA2B
SCHEMBL8073844 0.90 GPR119 (0.49) HRH2HRH1YAP1ITGB3ITGA2B
SCHEMBL2899111 0.89 GPR119 (0.48) GPR119KCNH2
SCHEMBL2890673 0.89 GPR119 (0.48) GPR119KCNH2
SCHEMBL2890667 0.89 GPR119 (0.48) GPR119KCNH2

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-20100286112-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-11-11 US disclosed
US-20100286112-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-11-11 US disclosed
US-20100286112-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-11-11 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 (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-20100286112-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS GPR119, DPP4, DPP9 HRH2 877/4885HRH1 1577/4885YAP1 4276/4885

“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.