SCHEMBL21617288

SCHEMBL21617288

CC(C)NC(=O)c1c(C#N)cccc1Nc1ccc(OCc2ccccc2)cc1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.41
▸ GPR34 Q9UPC5 1/20 0.41
▸ MAOA P21397 2/20 0.41
▸ MAOB P27338 2/20 0.41
▸ MRGPRX4 Q96LA9 3/20 0.39
▸ ACACB O00763 1/20 0.39
▸ S1PR1 P21453 4/20 0.38
▸ GPR132 Q9UNW8 1/20 0.38
▸ SMPD1 P17405 1/20 0.38
▸ TAOK1 Q7L7X3 1/20 0.38
▸ TAOK3 Q9H2K8 1/20 0.38
▸ GUSB P08236 1/20 0.38

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
SCHEMBL31504402 1.00 PTGES (0.41) PTGESGPR34MAOAMAOBMRGPRX4
SCHEMBL21617212 0.89 PTGES (0.45) PTGESMAOAMAOBMRGPRX4ACACB
SCHEMBL31504440 0.89 PTGES (0.45) PTGESMAOAMAOBMRGPRX4ACACB
SCHEMBL23308016 0.88 CNR2 (0.42) GPR132
SCHEMBL21617266 0.88 PTGES (0.44) PTGESMAOAMAOBACACBS1PR1
SCHEMBL31504425 0.88 PTGES (0.44) PTGESMAOAMAOBACACBS1PR1
SCHEMBL21617219 0.87 PTGES (0.43) PTGESMAOAMAOBACACBS1PR1
SCHEMBL31504380 0.87 PTGES (0.43) PTGESMAOAMAOBACACBS1PR1
SCHEMBL21623514 0.84 MAOA (0.42) PTGESMAOAMAOBMRGPRX4S1PR1
SCHEMBL23308005 0.72 ALDH1A1 (0.45) MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3820850-B1 PHENYL/PYRIDYL-N-PHENYL/PYRIDYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION ABIVAX (FR) 2026-04-01 — — EP disclosed
US-12421206-B2 Aryl-n-aryl derivatives for treating a RNA virus infection ABIVAX (FR) 2025-09-23 — — US disclosed
EP-3820850-A1 PHENYL/PYRIDYL-N-PHENYL/PYRIDYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION ABIVAX (FR) 2021-05-19 — — EP disclosed
US-20210122732-A1 ARYL-N-ARYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION ABIVAX (FR) 2021-04-29 — — US disclosed
US-20210122732-A1 ARYL-N-ARYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION ABIVAX (FR) 2021-04-29 — — US disclosed
WO-2020011816-A1 PHENYL/PYRIDYL-N-PHENYL/PYRIDYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION ABIVAX (FR) 2020-01-16 — — WO disclosed
WO-2020011816-A1 PHENYL/PYRIDYL-N-PHENYL/PYRIDYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION ABIVAX (FR) 2020-01-16 — — 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 (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-12421206-B2 Aryl-n-aryl derivatives for treating a RNA virus infection NSUN3, CBR3, C1R PTGES 3685/4885GPR34 1794/4885MAOA 1648/4885
US-20210122732-A1 ARYL-N-ARYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION NSUN3, CBR3, C1R PTGES 3685/4885GPR34 1794/4885MAOA 1648/4885

“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.

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