SCHEMBL21656580

SCHEMBL21656580

COc1ccc(F)cc1C(C)(C#N)CC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 17/20 0.43
NR3C2 P08235 14/20 0.43
PGR P06401 6/20 0.43
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 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
SCHEMBL21656177 0.91 MTNR1A (0.40) NR3C1NR3C2PGRMTNR1AMTNR1B
SCHEMBL21632105 0.86 NR3C1 (0.46) NR3C1NR3C2PGR
SCHEMBL21656175 0.84 MTNR1A (0.41) MTNR1AMTNR1B
SCHEMBL21656334 0.81 MTNR1A (0.38) NR3C1NR3C2PGRMTNR1AMTNR1B
SCHEMBL21708649 0.81 NR3C1 (0.39) NR3C1NR3C2PGR
SCHEMBL21656201 0.80 NR3C1 (0.41) NR3C1NR3C2MTNR1AMTNR1B
SCHEMBL21656108 0.79 MTNR1A (0.40) NR3C2MTNR1AMTNR1B
SCHEMBL21631931 0.77 NR3C2 (0.42) NR3C1NR3C2PGR
SCHEMBL31445000 0.73 NR3C1 (0.47) NR3C1NR3C2PGR
SCHEMBL4490249 0.73 NR3C2 (0.51) NR3C1NR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-10-05 US disclosed
US-20200031775-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-01-30 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 (2 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-20200031775-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF AADAC, NAT1, EPX NR3C1 548/4885NR3C2 362/4885PGR 3438/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX NR3C1 548/4885NR3C2 362/4885PGR 3438/4885

“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.