SCHEMBL12071546

SCHEMBL12071546

CCCCOc1cccc(CCNC(C)=O)c1OC

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 16/20 0.59
▸ MTNR1B P49286 15/20 0.59
▸ HTR2C P28335 1/20 0.50
▸ HTR2B P41595 1/20 0.50

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
SCHEMBL1009815 0.85 MTNR1A (0.75) MTNR1AMTNR1BHTR2CHTR2B
SCHEMBL14927052 0.81 MTNR1A (0.61) MTNR1AMTNR1B
SCHEMBL19710702 0.77 MTNR1A (0.47) MTNR1AMTNR1B
SCHEMBL14907347 0.76 MTNR1A (0.73) MTNR1AMTNR1BHTR2B
SCHEMBL17150039 0.76 CA12 (0.61) MTNR1AMTNR1B
SCHEMBL1010724 0.75 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL18183555 0.75 CA12 (0.60) MTNR1AMTNR1B
SCHEMBL16437111 0.74 TSHR (0.53) MTNR1AMTNR1B
SCHEMBL19612412 0.74 SMN1; SMN2 (0.55) —
SCHEMBL13178649 0.73 CNR2 (0.60) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 — — US disclosed
US-20130116278-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2013-05-09 — — US disclosed
WO-2011159926-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-22 — — WO disclosed
WO-2011156626-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-15 — — WO 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-20130116278-A1 ANTIMICROBIAL AGENTS MRPL21, ARG1, RPP30 MTNR1A 1415/4885MTNR1B 1904/4885HTR2C 4829/4885

“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.

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