SCHEMBL4838538

SCHEMBL4838538

CCC(=O)Nc1ccc(C(=O)/C=C2\NC(C)(C)Cc3ccc(OC)cc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.44
MTNR1B P49286 6/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NQO2 P16083 3/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.40
NPC1 O15118 2/20 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
SCHEMBL4838553 1.00 MTNR1A (0.44) MTNR1AMTNR1BLMNAKDM4ENQO2
SCHEMBL4842563 0.93 MTNR1B (0.47) MTNR1AMTNR1BLMNAKDM4EHPGD
SCHEMBL4842547 0.93 MTNR1B (0.47) MTNR1AMTNR1BLMNAKDM4EHPGD
SCHEMBL4844893 0.92 MTNR1A (0.45) MTNR1AMTNR1BLMNAKDM4EHPGD
SCHEMBL4844875 0.92 MTNR1A (0.45) MTNR1AMTNR1BLMNAKDM4EHPGD
SCHEMBL4845668 0.91 MTNR1B (0.48) MTNR1AMTNR1BLMNAKDM4EHPGD
SCHEMBL4845681 0.91 MTNR1B (0.48) MTNR1AMTNR1BLMNAKDM4EHPGD
SCHEMBL4839986 0.90 KDM4E (0.42) LMNAKDM4EHPGDSMN1; SMN2MAPT
SCHEMBL4839999 0.90 KDM4E (0.42) LMNAKDM4EHPGDSMN1; SMN2MAPT
SCHEMBL4844060 0.90 CNR1 (0.48) MTNR1AMTNR1BLMNAKDM4EHPGD

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-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.