SCHEMBL4314952

SCHEMBL4314952

CCN(CC(C)(C)C)C(=O)Cn1c(=O)c(C(C)(C)C)cc2ccc(OC)cc21

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
CCR9 P51686 1/20 0.41
TSPO P30536 8/20 0.41
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
THRB P10828 1/20 0.37

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
SCHEMBL4311962 0.90 MAPT (0.41) MAPTCCR9TSPOTP53RXFP1
SCHEMBL4310962 0.86 MAPT (0.40) MAPTCCR9TSPOTP53RXFP1
SCHEMBL4309693 0.86 MAPT (0.42) MAPTCCR9TP53MTNR1AMTNR1B
SCHEMBL4318320 0.85 MAPT (0.40) MAPTCCR9TSPOTP53MTNR1A
SCHEMBL4317662 0.85 CCR9 (0.40) MAPTCCR9TP53MTNR1AMTNR1B
SCHEMBL4307635 0.85 TSPO (0.46) MAPTTSPOTP53RXFP1MTNR1A
SCHEMBL4314718 0.84 CCR9 (0.42) MAPTCCR9TP53MTNR1AMTNR1B
SCHEMBL4316870 0.84 MAPT (0.50) MAPTCCR9TP53THRB
SCHEMBL4311475 0.84 CCR9 (0.39) MAPTCCR9TSPOMTNR1AMTNR1B
SCHEMBL4314549 0.84 MAPT (0.39) MAPTCCR9TSPOTP53RXFP1

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 MAPT 498/4885CCR9 4698/4885TSPO 859/4885

“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.