SCHEMBL4314697

SCHEMBL4314697

CCCN(CC1CC1)C(=O)Cn1c(=O)c(C(C)(C)C)nc2ccc(OC)cc21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.41
MTNR1B P49286 4/20 0.41
CRHR1 P34998 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4321767 0.91 MTNR1A (0.43) MTNR1AMTNR1B
SCHEMBL4320915 0.87 MTNR1A (0.41) MTNR1AMTNR1BALDH1A1
SCHEMBL4307328 0.86 MTNR1A (0.40) MTNR1AMTNR1B
SCHEMBL4312896 0.85 MTNR1A (0.42) MTNR1AMTNR1BALDH1A1
SCHEMBL6047774 0.85 MTNR1A (0.41) MTNR1AMTNR1BCRHR1CNR1CNR2
SCHEMBL4309188 0.84 MAPT (0.39) MTNR1AMTNR1BCRHR1CNR1CNR2
SCHEMBL4316476 0.84 KDM4E (0.42) MTNR1AMTNR1BALDH1A1
SCHEMBL4307287 0.83 MTNR1A (0.42) MTNR1AMTNR1B
SCHEMBL4309625 0.82 TSPO (0.43) MTNR1AMTNR1B
SCHEMBL4314970 0.82 TSPO (0.41) MTNR1AMTNR1B

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 MTNR1A 425/4885MTNR1B 372/4885CRHR1 2982/4885

“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.