SCHEMBL7228558

SCHEMBL7228558

N#Cc1ccc2cc1Oc1cccc(c1)CCCCNC(=O)c1cnc3n1C2CC3

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 16/20 0.40
FNTB P49356 16/20 0.40
KCNH2 Q12809 12/20 0.40
CYP3A4 P08684 6/20 0.40
PGGT1B P53609 11/20 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
Hydrochloric Acid SCHEMBL7228811 0.99 FNTA (0.39) FNTAFNTBKCNH2CYP3A4PGGT1B
SCHEMBL7253295 0.70 FNTA (0.51) FNTAFNTBKCNH2CYP3A4PGGT1B
Hydrochloric Acid SCHEMBL7252683 0.69 FNTA (0.51) FNTAFNTBKCNH2CYP3A4PGGT1B
SCHEMBL7248216 0.69 FNTA (0.51) FNTAFNTBKCNH2CYP3A4PGGT1B
SCHEMBL7252273 0.69 FNTA (0.51) FNTAFNTBKCNH2CYP3A4PGGT1B
Hydrochloric Acid SCHEMBL7248127 0.68 FNTA (0.50) FNTAFNTBKCNH2CYP3A4PGGT1B
Hydrochloric Acid SCHEMBL7247014 0.68 FNTA (0.50) FNTAFNTBKCNH2CYP3A4PGGT1B
Hydrochloric Acid SCHEMBL7253913 0.68 FNTA (0.50) FNTAFNTBKCNH2CYP3A4PGGT1B
SCHEMBL7248670 0.64 FNTA (0.61) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7251284 0.63 FNTA (0.61) FNTAFNTBPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610722-B2 Peptidomimetic macrocyclic compounds that comprise a bicyclic imidazolyl moiety and that do not contain thiol moieties; e.g., 3,5-ethano-6,10:12,16-dimetheno-22H-imidazo (3,4-h)(1,8,11,14)oxatriazacycloeicosine-9-carbonitrile MERCK & CO., INC. 2003-08-26 US claimed
US-6610722-B2 Peptidomimetic macrocyclic compounds that comprise a bicyclic imidazolyl moiety and that do not contain thiol moieties; e.g., 3,5-ethano-6,10:12,16-dimetheno-22H-imidazo (3,4-h)(1,8,11,14)oxatriazacycloeicosine-9-carbonitrile MERCK & CO., INC. 2003-08-26 US disclosed
US-20020068747-A1 Inhibitors of prenyl-protein transferase MERCK SHARP & DOHME CORP. 2002-06-06 US disclosed
WO-2001077114-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-10-18 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 (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-20020068747-A1 Inhibitors of prenyl-protein transferase FNTA, KRAS, NRAS FNTA 1/4885FNTB 4/4885KCNH2 4800/4885

“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.