SCHEMBL6047832

SCHEMBL6047832

CCCN(CCC)C(=O)Cn1c(C(=O)C(C)(C)C)nc2cc(OC)ccc21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
TSPO P30536 6/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
RPS6KA5 O75582 1/20 0.39
MAPT P10636 2/20 0.38
ALOX15 P16050 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
NPC1 O15118 1/20 0.38
NLRP3 Q96P20 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
SCHEMBL6047806 0.94 ALDH1A1 (0.44) ALDH1A1TDP1TSPOMEN1KMT2A
SCHEMBL6047815 0.92 MTNR1A (0.43) TSPOLMNAPOLB
SCHEMBL6047788 0.91 CNR2 (0.43) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL6047764 0.90 ALDH1A1 (0.45) ALDH1A1TDP1TSPOMEN1KMT2A
SCHEMBL6047761 0.89 ALDH1A1 (0.43) ALDH1A1TDP1CNR1CNR2
SCHEMBL6047805 0.88 MTNR1A (0.41) ALDH1A1TSPOLMNACNR2NPC1
SCHEMBL6047784 0.87 MTNR1A (0.40) TSPOLMNAPOLB
SCHEMBL6047783 0.87 CNR2 (0.46) ALDH1A1TDP1TSPOMEN1KMT2A
SCHEMBL6047825 0.86 CNR2 (0.47) ALDH1A1TDP1TSPOMEN1KMT2A
SCHEMBL4696223 0.86 MTNR1A (0.43) ALDH1A1TSPOLMNACNR2NPC1

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 ALDH1A1 2026/4885TDP1 3412/4885TSPO 491/4885

“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.