SCHEMBL16834852

SCHEMBL16834852

CN(C)/C=C(/Oc1cccc(Br)n1)C(=O)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 17/20 0.53
CYP11B2 P19099 13/20 0.53
HTR7 P34969 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 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
SCHEMBL16834854 1.00 CYP11B1 (0.53) CYP11B1CYP11B2HTR7CYP1A2CYP2C19
SCHEMBL16834855 1.00 CYP11B1 (0.53) CYP11B1CYP11B2HTR7CYP1A2CYP2C19
SCHEMBL16855807 0.89 CYP11B1 (0.49) CYP11B1CYP11B2HTR7
SCHEMBL18107156 0.77 CYP11B1 (0.43) CYP11B1CYP11B2CYP1A2CYP2C19
SCHEMBL16847894 0.77 CYP11B1 (0.43) CYP11B1CYP11B2CYP1A2CYP2C19
SCHEMBL18107164 0.75 CYP11B1 (0.49) CYP11B1CYP11B2
SCHEMBL16847686 0.75 CYP11B1 (0.49) CYP11B1CYP11B2
SCHEMBL18107975 0.74 CYP11B1 (0.43) CYP11B1CYP11B2
SCHEMBL16847973 0.74 CYP11B1 (0.43) CYP11B1CYP11B2
SCHEMBL16834841 0.72 CYP11B1 (0.49) CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083605-B1 FLUOROPHENYL PYRAZOL COMPOUNDS LILLY CO ELI (US) 2018-02-21 EP disclosed
EP-3083605-B1 FLUOROPHENYL PYRAZOL COMPOUNDS LILLY CO ELI (US) 2018-02-21 EP disclosed
US-9499490-B2 Fluorophenyl pyrazol compounds ELI LILLY AND COMPANY (US) 2016-11-22 US disclosed
US-9499490-B2 Fluorophenyl pyrazol compounds ELI LILLY AND COMPANY (US) 2016-11-22 US disclosed
US-9499490-B2 Fluorophenyl pyrazol compounds ELI LILLY AND COMPANY (US) 2016-11-22 US disclosed
EP-3083605-A1 FLUOROPHENYL PYRAZOL COMPOUNDS Eli Lilly & Company (US) 2016-10-26 EP disclosed
US-20160289195-A1 FLUOROPHENYL PYRAZOL COMPOUNDS ELI LILLY AND COMPANY 2016-10-06 US disclosed
US-20160289195-A1 FLUOROPHENYL PYRAZOL COMPOUNDS ELI LILLY AND COMPANY 2016-10-06 US disclosed
US-20160289195-A1 FLUOROPHENYL PYRAZOL COMPOUNDS ELI LILLY AND COMPANY 2016-10-06 US disclosed
WO-2015089800-A1 FLUOROPHENYL PYRAZOL COMPOUNDS ELI LILLY AND COMPANY (US) 2015-06-25 WO disclosed
WO-2015094913-A1 FLUOROPHENYL PYRAZOL COMPOUNDS ELI LILLY AND COMPANY (US) 2015-06-25 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-20160289195-A1 FLUOROPHENYL PYRAZOL COMPOUNDS SLCO1B3, CYP3A43, CYP4F3 CYP11B1 40/4885CYP11B2 20/4885HTR7 454/4885

“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.