SCHEMBL4314971

SCHEMBL4314971

CCN(CCC(C)C)C(=O)Cn1c(=O)c(-c2ccccc2)cc2ccc(OC)cc21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSPO P30536 7/20 0.43
SRC P12931 3/20 0.42
LYN P07948 2/20 0.42
BTK Q06187 2/20 0.42
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
TP53 P04637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 2/20 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
SCHEMBL4308137 0.95 LYN (0.42) TSPOSRCLYNBTKMTNR1A
SCHEMBL4316480 0.90 LYN (0.43) TSPOSRCLYNBTKMTNR1A
SCHEMBL4309383 0.88 TSPO (0.44) TSPOSRCLYNBTKMTNR1A
SCHEMBL4307635 0.86 TSPO (0.46) TSPOSRCLYNBTKMTNR1A
SCHEMBL4318316 0.85 LYN (0.45) TSPOSRCLYNBTKMTNR1A
SCHEMBL4310962 0.83 MAPT (0.40) TSPOMTNR1AMTNR1BTP53RXFP1
SCHEMBL4305278 0.82 LYN (0.42) TSPOSRCLYNBTKMTNR1A
SCHEMBL4311754 0.82 MAPT (0.49) TP53MAPT
SCHEMBL4316778 0.81 MAPT (0.38) TSPOTP53RXFP1MAPT
SCHEMBL4307754 0.80 LYN (0.41) TSPOSRCLYNBTKMTNR1A

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 TSPO 859/4885SRC 4275/4885LYN 3380/4885

“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.