SCHEMBL25575249

SCHEMBL25575249

Cc1cccc(/C=C/C(=O)N2CCC[C@H]2C(=O)C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.49
APP P05067 3/20 0.44
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 2/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 3/20 0.42
CYP1A2 P05177 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
GPR183 P32249 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL25474277 0.87 CYP2C19 (0.63) CYP2C19APPCYP3A4ALDH1A1NPC1
SCHEMBL14430061 0.74 MAOB (0.60) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL23792524 0.73 CYP2C19 (0.67) CYP2C19APPCYP3A4NPC1HPGD
SCHEMBL6412360 0.72 CYP2C19 (0.66) CYP2C19APPCYP3A4ALDH1A1NPC1
SCHEMBL5740710 0.72 CYP2C19 (0.66) CYP2C19APPCYP3A4ALDH1A1NPC1
SCHEMBL6412358 0.72 CYP2C19 (0.66) CYP2C19APPCYP3A4ALDH1A1NPC1
SCHEMBL9408172 0.72 CYP2C19 (0.66) CYP2C19APPCYP3A4ALDH1A1NPC1
SCHEMBL11483277 0.71 GPR183 (0.52) ALDH1A1NPC1RAB9AMAPTMAOA
SCHEMBL11483281 0.71 GPR183 (0.52) ALDH1A1NPC1RAB9AMAPTMAOA
SCHEMBL29913307 0.71 ENPP2 (0.48) NPC1RAB9ASMN1; SMN2MAPTCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230158102-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CORONAVIRUS INFECTION PHARMA MAR, S.A. (ES) 2023-05-25 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 (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-20230158102-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CORONAVIRUS INFECTION ACE, SARS1, ACE2 CYP2C19 17/4885APP 1713/4885CYP3A4 58/4885

“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.