SCHEMBL4310993

SCHEMBL4310993

COc1ccc2cc(-c3ccccc3)c(=O)n(CCC(C)(C)C)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LYN P07948 3/20 0.49
SRC P12931 3/20 0.49
BTK Q06187 3/20 0.49
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ADORA3 P0DMS8 1/20 0.44
GRM2 Q14416 1/20 0.43
CCR9 P51686 1/20 0.42
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40

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
SCHEMBL4310989 0.85 PDE5A (0.48) LYNSRCBTKMTNR1AMTNR1B
SCHEMBL13924433 0.82 LYN (0.50) LYNSRCBTKMTNR1AMTNR1B
SCHEMBL13912958 0.82 LYN (0.50) LYNSRCBTKMTNR1AMTNR1B
SCHEMBL4307899 0.81 GRM2 (0.46) MTNR1AMTNR1BADORA3GRM2CCR9
SCHEMBL4309383 0.80 TSPO (0.44) LYNSRCBTKMTNR1AMTNR1B
SCHEMBL4308603 0.80 GRM2 (0.44) LYNSRCBTKMTNR1AMTNR1B
SCHEMBL4305278 0.79 LYN (0.42) LYNSRCBTKMTNR1AMTNR1B
SCHEMBL4307635 0.77 TSPO (0.46) LYNSRCBTKMTNR1AMTNR1B
SCHEMBL4308755 0.75 GRM2 (0.40) LYNSRCBTKMTNR1AMTNR1B
SCHEMBL4316480 0.74 LYN (0.43) LYNSRCBTKMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
EP-2004193-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION Merck & Co., Inc. (US) 2008-12-24 EP disclosed
WO-2007108968-A2 OPHTHALMIC COMPOSITIONS FOR TREATING OCULAR HYPERTENSION MERCK & CO., INC. (US) 2007-09-27 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-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNN3, KCNN1, KCNN2 LYN 3380/4885SRC 4275/4885BTK 4190/4885

“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.