SCHEMBL4307899

SCHEMBL4307899

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.46
CCR9 P51686 1/20 0.44
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MTNR1A P48039 6/20 0.40
MTNR1B P49286 6/20 0.40
ADORA3 P0DMS8 1/20 0.39
CA2 P00918 1/20 0.39
CCR2 P41597 1/20 0.37
DYRK1A Q13627 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL4305280 0.85 PDE5A (0.43) GRM2CCR9MAPTSMN1; SMN2NPSR1
SCHEMBL4308603 0.82 GRM2 (0.44) GRM2CCR9MAPTSMN1; SMN2NPSR1
SCHEMBL13924694 0.82 CCR9 (0.44) GRM2CCR9MAPTSMN1; SMN2NPSR1
SCHEMBL4310993 0.81 LYN (0.49) GRM2CCR9MAPTSMN1; SMN2NPSR1
SCHEMBL4308707 0.81 CCR9 (0.54) CCR9MAPTCCR2
SCHEMBL4315297 0.80 CCR9 (0.47) CCR9MAPTMTNR1AMTNR1BCCR2
SCHEMBL4311962 0.79 MAPT (0.41) CCR9MAPTRXFP1MTNR1AMTNR1B
SCHEMBL4308755 0.78 GRM2 (0.40) GRM2CCR9MAPTSMN1; SMN2NPSR1
SCHEMBL4317662 0.78 CCR9 (0.40) GRM2CCR9MAPTMTNR1AMTNR1B
SCHEMBL4318320 0.78 MAPT (0.40) CCR9MAPTMTNR1AMTNR1B

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 3 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

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 GRM2 687/4885CCR9 4698/4885MAPT 498/4885

“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.