SCHEMBL1770076

SCHEMBL1770076

CCOC(=O)[C@H]1CC(F)(F)CC[C@H]1NC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.54
KDM1A O60341 1/20 0.46
MAOB P27338 1/20 0.46
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
CASP3 P42574 3/20 0.44
TSHR P16473 2/20 0.43
ROCK2 O75116 1/20 0.43
CTSB P07858 2/20 0.43
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
DPP4 P27487 1/20 0.43
KCNH2 Q12809 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
CTSL P07711 1/20 0.43
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL28380648 1.00 CPB1 (0.54) CPB1KDM1AMAOBALDH1A1GAA
SCHEMBL28517210 0.88 CPB1 (0.54) CPB1KDM1AMAOBALDH1A1GAA
SCHEMBL20959611 0.88 CPB1 (0.54) CPB1KDM1AMAOBALDH1A1GAA
SCHEMBL1770251 0.85 CPB1 (0.52) CPB1KDM1AMAOBALDH1A1GAA
SCHEMBL12987135 0.84 PPID (0.41) CTSB
SCHEMBL12987139 0.84 PPID (0.41) CTSB
SCHEMBL12987132 0.84 PPID (0.41) CTSB
SCHEMBL28854927 0.82 CPB1 (0.64) CPB1ALDH1A1GAACASP3TSHR
SCHEMBL8296191 0.82 CPB1 (0.64) CPB1ALDH1A1GAACASP3TSHR
SCHEMBL26655997 0.81 CPB1 (0.63) CPB1KDM1AMAOBALDH1A1GAA

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
CN-111032651-A Heterocyclic compounds 武田药品工业株式会社 2020-04-17 CN disclosed
US-20110112133-A1 DIHYDRO PYRROLOQUINOLINE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-12 US disclosed
US-20110112133-A1 DIHYDRO PYRROLOQUINOLINE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-12 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-20110112133-A1 DIHYDRO PYRROLOQUINOLINE DERIVATIVES HRH4, HRH2, BDKRB2 CPB1 3848/4885KDM1A 944/4885MAOB 2487/4885

“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.