SCHEMBL6047775

SCHEMBL6047775

CCCCN(CCCC)C(=O)Cn1c(C(=O)C(C)C)nc2ncc(OC)cc21

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSPO P30536 3/20 0.34
EDNRB P24530 6/20 0.34
EDNRA P25101 4/20 0.34
DRD4 P21917 1/20 0.34
APLNR P35414 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6047827 0.89 MC4R (0.35) TSPO
SCHEMBL4752874 0.86 TSPO (0.34) TSPOEDNRBEDNRADRD4APLNR
SCHEMBL4700037 0.85 TLR9 (0.33) TSPOEDNRBEDNRADRD4APLNR
SCHEMBL6047776 0.83 MTNR1A (0.43) TSPO
SCHEMBL6047829 0.82 MTNR1A (0.42) TSPOEDNRBEDNRA
SCHEMBL6047837 0.81 CYP1A2 (0.34) TSPOSIGMAR1
SCHEMBL4696582 0.80 ROCK1 (0.38) TSPO
SCHEMBL6047808 0.80 KDM4E (0.43) TSPO
SCHEMBL6047770 0.78 MC4R (0.34) TSPO
SCHEMBL6047795 0.77 MTNR1A (0.45) TSPO

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 TSPO 491/4885EDNRB 124/4885EDNRA 184/4885

“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.