SCHEMBL4844893

SCHEMBL4844893

COCC(=O)Nc1ccc(C(=O)C=C2NC(C)(C)Cc3ccc(OC)cc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
GAA P10253 1/20 0.39
IMPDH2 P12268 2/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL4844875 1.00 MTNR1A (0.45) MTNR1AMTNR1BLMNAKDM4EALDH1A1
SCHEMBL4838553 0.92 MTNR1A (0.44) MTNR1AMTNR1BLMNAKDM4EALDH1A1
SCHEMBL4838538 0.92 MTNR1A (0.44) MTNR1AMTNR1BLMNAKDM4EALDH1A1
SCHEMBL4835162 0.90 NPC1 (0.48) ALDH1A1MAPTL3MBTL1HPGDGAA
SCHEMBL4835182 0.90 NPC1 (0.48) ALDH1A1MAPTL3MBTL1HPGDGAA
SCHEMBL4837826 0.90 ALDH1A1 (0.45) MTNR1AMTNR1BLMNAKDM4EALDH1A1
SCHEMBL4837848 0.90 ALDH1A1 (0.45) MTNR1AMTNR1BLMNAKDM4EALDH1A1
SCHEMBL4842547 0.90 MTNR1B (0.47) MTNR1AMTNR1BLMNAKDM4EALDH1A1
SCHEMBL4842563 0.90 MTNR1B (0.47) MTNR1AMTNR1BLMNAKDM4EALDH1A1
SCHEMBL4839986 0.89 KDM4E (0.42) LMNAKDM4EALDH1A1MAPTHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 US claimed
US-7378428-B2 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-27 US disclosed
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 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-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient PARK7, MMP8, CDK7 MTNR1A 312/4885MTNR1B 410/4885LMNA 3014/4885

“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.