SCHEMBL6047788

SCHEMBL6047788

CCCN(CC1CC1)C(=O)Cn1c(C(=O)C(C)(C)C)nc2cc(OC)ccc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.43
CNR1 P21554 4/20 0.43
ALDH1A1 P00352 2/20 0.40
PTGER4 P35408 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CRHR1 P34998 1/20 0.38
MLYCD O95822 1/20 0.37
KMT2A Q03164 2/20 0.36
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
MMP13 P45452 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL6047774 0.93 MTNR1A (0.41) CNR2CNR1ALDH1A1CRHR1MLYCD
SCHEMBL6047832 0.91 ALDH1A1 (0.45) CNR2CNR1ALDH1A1TDP1KMT2A
SCHEMBL6047842 0.86 CNR2 (0.42) CNR2CNR1ALDH1A1PTGER4TDP1
SCHEMBL6047806 0.85 ALDH1A1 (0.44) CNR2ALDH1A1TDP1KMT2AMEN1
SCHEMBL6047764 0.83 ALDH1A1 (0.45) CNR2CNR1ALDH1A1TDP1KMT2A
SCHEMBL6047815 0.83 MTNR1A (0.43)
SCHEMBL6047831 0.81 ALDH1A1 (0.41) CNR2CNR1ALDH1A1TDP1KMT2A
SCHEMBL6047761 0.81 ALDH1A1 (0.43) CNR2CNR1ALDH1A1TDP1
SCHEMBL6047791 0.80 MTNR1A (0.41) CNR2CNR1ALDH1A1CRHR1KMT2A
SCHEMBL6047783 0.80 CNR2 (0.46) CNR2CNR1ALDH1A1TDP1KMT2A

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 1 patent. 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 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 CNR2 1322/4885CNR1 1551/4885ALDH1A1 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.