SCHEMBL4307754

SCHEMBL4307754

CCCN(CC1CC1)C(=O)Cn1c(=O)c(-c2ccccc2)cc2ccc(OC)cc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LYN P07948 2/20 0.41
SRC P12931 2/20 0.41
BTK Q06187 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
MAPT P10636 5/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TSPO P30536 1/20 0.38
CRHR1 P34998 1/20 0.38
ALOX12 P18054 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL4305278 0.86 LYN (0.42) LYNSRCBTKMTNR1AMTNR1B
SCHEMBL4318316 0.85 LYN (0.45) LYNSRCBTKMTNR1AMTNR1B
SCHEMBL4307806 0.84 MAPT (0.39) SRCMTNR1AMTNR1BMAPTALDH1A1
SCHEMBL4309188 0.84 MAPT (0.39) MTNR1AMTNR1BMAPTALDH1A1MEN1
SCHEMBL4303825 0.83 PTGDR2 (0.38) SRCMAPTALDH1A1MEN1MAPK1
SCHEMBL4309383 0.81 TSPO (0.44) LYNSRCBTKMTNR1AMTNR1B
SCHEMBL4307635 0.81 TSPO (0.46) LYNSRCBTKMTNR1AMTNR1B
SCHEMBL4308137 0.81 LYN (0.42) LYNSRCBTKMTNR1AMTNR1B
SCHEMBL4316480 0.81 LYN (0.43) LYNSRCBTKMTNR1AMTNR1B
SCHEMBL4314971 0.80 TSPO (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 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 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.