SCHEMBL19658437

SCHEMBL19658437

CC(=O)NCC1COc2ccccc2C1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.65
MTNR1B P49286 7/20 0.56
TP53 P04637 1/20 0.49
ACLY P53396 1/20 0.48
MALT1 Q9UDY8 1/20 0.47
HDAC1 Q13547 1/20 0.46

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
SCHEMBL15045825 0.86 MTNR1A (0.50) MTNR1ATP53ACLYMALT1HDAC1
SCHEMBL5344278 0.82 MTNR1A (0.72) MTNR1AMTNR1BACLY
SCHEMBL7281450 0.81 MTNR1A (0.68) MTNR1AMTNR1B
SCHEMBL6076652 0.81 MTNR1A (0.70) MTNR1AMTNR1BMALT1
SCHEMBL5334595 0.81 MTNR1A (0.70) MTNR1AMTNR1BTP53ACLY
SCHEMBL5346519 0.81 MTNR1A (0.70) MTNR1AMTNR1BACLYMALT1
SCHEMBL5346165 0.81 MTNR1A (0.70) MTNR1AMTNR1BTP53HDAC1
SCHEMBL5261920 0.79 MTNR1A (1.00) MTNR1AMTNR1BTP53
SCHEMBL7201059 0.78 MTNR1A (0.62) MTNR1AMTNR1B
SCHEMBL9692800 0.78 MALT1 (0.53) MTNR1ATP53ACLYMALT1HDAC1

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-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 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 (2 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-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 MTNR1A 710/4885MTNR1B 427/4885TP53 1133/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 MTNR1A 710/4885MTNR1B 427/4885TP53 1133/4885

“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.