SCHEMBL22992385

SCHEMBL22992385

CS(C)(C)C#Cc1ccc2c(c1)COc1cc3c(cc1-2)CCCC3=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 6/20 0.46
▸ MAOA P21397 6/20 0.37
▸ MAOB P27338 6/20 0.37
▸ PRKCI P41743 1/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD17B1 P14061 2/20 0.34
▸ PGR P06401 1/20 0.33
▸ BAZ2B Q9UIF8 1/20 0.33
▸ CYP2A6 P11509 1/20 0.32
▸ ACACB O00763 1/20 0.31

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
SCHEMBL18634519 0.92 GRM5 (0.45) GRM5MAOAMAOBPRKCIMEN1
SCHEMBL19566332 0.87 GRM5 (0.49) GRM5MAOAMAOBPRKCIMEN1
SCHEMBL14979694 0.85 GRM5 (0.47) GRM5MAOAMAOBPRKCIMEN1
SCHEMBL17332079 0.83 GRM5 (0.44) GRM5MAOAMAOBPRKCIMEN1
SCHEMBL17332094 0.82 GRM5 (0.45) GRM5MAOAMAOBPRKCIMEN1
SCHEMBL19548369 0.82 MAOB (0.46) GRM5MAOAMAOBPRKCIMEN1
SCHEMBL17332161 0.82 GRM5 (0.44) GRM5MAOAMAOBPRKCIMEN1
SCHEMBL17332147 0.82 GRM5 (0.44) GRM5MAOAMAOBPRKCIMEN1
SCHEMBL17332081 0.80 GRM5 (0.53) GRM5MAOAMAOBPRKCIPGR
SCHEMBL17343502 0.77 MAOB (0.40) MAOAMAOBPRKCIMEN1MAPK1

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-20210053981-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2021-02-25 — — US disclosed
EP-3778606-A2 CONDENSED IMIDAZOLYLIMIDAZOLES AS ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2021-02-17 — — 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-20210053981-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SARS1 GRM5 4231/4885MAOA 3181/4885MAOB 3123/4885

“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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