SCHEMBL4315035

SCHEMBL4315035

COc1ccc2cc(C(C)(C)C)c(=O)n(CC(=O)N(CCCCCO)CCC(C)(C)C)c2c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 1/20 0.39
MAPT P10636 8/20 0.36
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
TP53 P04637 1/20 0.34
CCR2 P41597 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4311871 0.90 CCR9 (0.38) CCR9MAPTMTNR1AMTNR1BTP53
SCHEMBL4318320 0.89 MAPT (0.40) CCR9MAPTMTNR1AMTNR1BTP53
SCHEMBL4311962 0.88 MAPT (0.41) CCR9MAPTMTNR1AMTNR1BTP53
SCHEMBL4303562 0.88 MAPT (0.37) CCR9MAPTMTNR1AMTNR1BTP53
SCHEMBL4311475 0.87 CCR9 (0.39) CCR9MAPTMTNR1AMTNR1B
SCHEMBL4317662 0.87 CCR9 (0.40) CCR9MAPTMTNR1AMTNR1BTP53
SCHEMBL4309693 0.86 MAPT (0.42) CCR9MAPTMTNR1AMTNR1BTP53
SCHEMBL4311690 0.85 CCR9 (0.35) CCR9MAPTMTNR1AMTNR1BTP53
SCHEMBL4312648 0.84 MTNR1A (0.36) MTNR1AMTNR1B
SCHEMBL4310968 0.83 MAPT (0.40) CCR9MAPTMTNR1AMTNR1BTP53

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-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US claimed
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 CCR9 4698/4885MAPT 498/4885MTNR1A 425/4885

“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.