SCHEMBL6759864

SCHEMBL6759864

COc1ccc(CBr)cc1C(F)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
NR3C1 P04150 11/20 0.39
NR3C2 P08235 6/20 0.38
GAA P10253 1/20 0.36
PGR P06401 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
S1PR1 P21453 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL29783248 0.86 S1PR1 (0.45) CA2GAAS1PR1
SCHEMBL478021 0.86 S1PR1 (0.45) CA2GAAS1PR1
SCHEMBL6755272 0.83 CA2 (0.39) CA2NR3C1NR3C2GAAPGR
SCHEMBL7968048 0.81 ALDH1A1 (0.43) CA2GAAMEN1ALDH1A1KMT2A
SCHEMBL15229537 0.76 MBOAT4 (0.43) CA2ALDH1A1KDM4EATM
SCHEMBL30242157 0.76 MBOAT4 (0.43) CA2ALDH1A1KDM4EATM
SCHEMBL30242156 0.76 MBOAT4 (0.43) CA2ALDH1A1KDM4EATM
SCHEMBL6758820 0.75 ACHE (0.52) NR3C1NR3C2GAAPGRMEN1
SCHEMBL6358873 0.75 CA2 (0.48) CA2ALDH1A1KDM4EATM
SCHEMBL1080853 0.74 CA2 (0.68) CA2ALDH1A1KDM4EATM

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-6720433-B2 MOTILIN RECEPTOR ANTAGONIST; PHE-N-ME-VAL-(3-(3-METHYLINDOL-5-YL))ALA-NH2;PHE-N-ME-VAL-PHE( 3-ACETYL-4-HYDROXY)-NH2;PHE-N-ME-VAL-(3-(5-TERT-BUTYL-4-SULFAM OYL-2-FURYL))ALA-NH2 CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-13 US disclosed
US-20030176643-A1 Ethylamine derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-09-18 US disclosed
US-6586630-B1 Carbocyclic carboxy amines, used as motilin receptor antagonists for therapy of gastrointerstinal disorders such as irritable bowel syndrome; hormone inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-07-01 US disclosed
EP-1116726-A1 ETHYLAMINE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-07-18 EP 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-20030176643-A1 Ethylamine derivatives MLNR, GIPR, MC4R CA2 3918/4885NR3C1 653/4885NR3C2 406/4885

“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.