SCHEMBL3057632

SCHEMBL3057632

CCC(C(=O)O)c1ccc(NC(=O)c2cn3c4c(cccc24)CCC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.44
MTNR1B P49286 7/20 0.44
KCNQ2 O43526 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR1A P08908 1/20 0.37
ADRA1A P35348 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
SCHEMBL3049919 0.81 NR1H4 (0.52) MTNR1AMTNR1BHTR2AHTR2C
SCHEMBL8081516 0.78 TP53 (0.47) MTNR1AMTNR1BSMN1; SMN2
SCHEMBL3059737 0.77 MTNR1A (0.44) MTNR1AMTNR1BHTR2AHTR2C
SCHEMBL2020434 0.74 MTNR1A (0.59) MTNR1AMTNR1BHTR2AHTR2C
SCHEMBL12450012 0.73 MTNR1A (0.57) MTNR1AMTNR1BHTR2AHTR2C
SCHEMBL1395799 0.72 HTR2A (0.52) MTNR1AMTNR1BHTR2AHTR2C
SCHEMBL2024854 0.72 MTNR1A (0.56) MTNR1AMTNR1BHTR2AHTR2C
SCHEMBL3054307 0.70 HTR2A (0.50) MTNR1AMTNR1BHTR2AHTR2C
SCHEMBL3054218 0.70 HTT (0.49) MTNR1AMTNR1B
SCHEMBL1395803 0.70 MTNR1A (0.54) MTNR1AMTNR1BHTR2AHTR2C

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-20100261710-A1 HDAC Inhibitors ARQULE, INC. (US) 2010-10-14 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-20100261710-A1 HDAC Inhibitors HDAC5, HDAC1, HDAC4 MTNR1A 2791/4885MTNR1B 3211/4885KCNQ2 4365/4885

“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.