SCHEMBL6047769

SCHEMBL6047769

CCCCN(CC)C(=O)Cn1c(C(=O)C(C)(C)C)nc2ccc(OC)cc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
TSPO P30536 7/20 0.41
MTNR1A P48039 6/20 0.41
MTNR1B P49286 6/20 0.41
ACSS2 Q9NR19 1/20 0.39
CNR2 P34972 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
SCHEMBL4696223 0.96 MTNR1A (0.43) KDM4ENPC1ALDH1A1LMNAGLA
SCHEMBL6047805 0.94 MTNR1A (0.41) KDM4ENPC1ALDH1A1LMNAGLA
SCHEMBL4780614 0.94 TSPO (0.44) TSPOMTNR1AMTNR1BACSS2
SCHEMBL6047764 0.92 ALDH1A1 (0.45) KDM4ENPC1ALDH1A1LMNAGLA
SCHEMBL6047793 0.90 TSPO (0.41) TSPOMTNR1AMTNR1BACSS2
SCHEMBL6047815 0.90 MTNR1A (0.43) LMNATSPOMTNR1AMTNR1BACSS2
SCHEMBL6047874 0.89 MC4R (0.45) TSPOMTNR1AMTNR1BACSS2CNR2
SCHEMBL6047806 0.88 ALDH1A1 (0.44) KDM4ENPC1ALDH1A1LMNAGLA
SCHEMBL6047812 0.88 TSPO (0.43) TSPOMTNR1AMTNR1BACSS2
SCHEMBL6047808 0.86 KDM4E (0.43) KDM4ENPC1ALDH1A1LMNAGLA

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-20060148805-A1 Opthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2006-07-06 US claimed
US-20060148805-A1 Opthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2006-07-06 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-20060148805-A1 Opthalmic compositions for treating ocular hypertension KCNH2, KCNH3, KCNN1 KDM4E 2009/4885NPC1 183/4885ALDH1A1 2026/4885

“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.