SCHEMBL14903985

SCHEMBL14903985

COc1cc(Cc2cc(-c3ccccc3)cc(-c3ccccc3)c2)c(-c2cc3cc(CO)c(CO)cc3[n+]3c2N(C)CC3)cc1OC

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ CYP11B1 P15538 3/20 0.31
▸ CYP11B2 P19099 3/20 0.31
▸ DRD4 P21917 2/20 0.31
▸ HTR7 P34969 2/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ SLC5A2 P31639 1/20 0.31
▸ ABCB1 P08183 2/20 0.31
▸ HTR1A P08908 1/20 0.30

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
SCHEMBL14904334 0.83 FYN (0.34) PDE4APDE4BPDE4CPDE4DDRD4
SCHEMBL14903987 0.69 KDM4E (0.40) —
SCHEMBL14926995 0.69 PDE5A (0.35) PDE4APDE4BPDE4CPDE4D
SCHEMBL14903979 0.69 MTNR1A (0.43) MTNR1AMTNR1BPDE4APDE4BPDE4C
SCHEMBL14903974 0.69 PDE4A (0.37) MTNR1AMTNR1BPDE4APDE4BPDE4C
SCHEMBL14906941 0.62 SRD5A1 (0.36) MTNR1AMTNR1B
SCHEMBL14903970 0.62 PDE10A (0.40) MTNR1AMTNR1BPDE4APDE4BPDE4C
SCHEMBL16994469 0.62 PTAFR (0.38) MTNR1AMTNR1BCYP11B1CYP11B2
SCHEMBL14903982 0.62 PDGFRB (0.53) MTNR1AMTNR1BCYP11B1CYP11B2
SCHEMBL14903984 0.62 FYN (0.38) PDE4APDE4BPDE4CPDE4D

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-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 — — US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 — — 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-20130109713-A1 ANTIMICROBIAL AGENTS RPS4X, RPS4Y1, MRPL21 MTNR1A 1533/4885MTNR1B 2157/4885PDE4A 1953/4885

“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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