SCHEMBL21656599

SCHEMBL21656599

COc1c(F)cc(F)cc1C(C)(CN)CC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.38
MTNR1B P49286 4/20 0.38
PTGFR P43088 3/20 0.36
STING1 Q86WV6 1/20 0.32

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
Hydrochloric Acid SCHEMBL21632094 0.85 PTGFR (0.45) PTGFR
SCHEMBL21656201 0.80 NR3C1 (0.41) MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL21708639 0.80 PTGFR (0.33) PTGFR
SCHEMBL21656334 0.79 MTNR1A (0.38) MTNR1AMTNR1BPTGFRSTING1
SCHEMBL21656602 0.78 MTNR1A (0.41) MTNR1AMTNR1BPTGFRSTING1
SCHEMBL21656595 0.76 KCNN4 (0.39) MTNR1AMTNR1B
SCHEMBL20534675 0.72 PTGFR (0.42) PTGFRSTING1
SCHEMBL21656321 0.71 MEN1 (0.42) MTNR1AMTNR1BSTING1
SCHEMBL21656118 0.71 MTNR1A (0.41) MTNR1AMTNR1BPTGFRSTING1
SCHEMBL9885325 0.68 PTGS2 (0.39) PTGFR

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 MTNR1A 367/4885MTNR1B 289/4885PTGFR 1050/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX MTNR1A 367/4885MTNR1B 289/4885PTGFR 1050/4885

“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.