SCHEMBL4842547

SCHEMBL4842547

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 10/20 0.47
MTNR1A P48039 6/20 0.46
THRB P10828 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
CASP3 P42574 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR1 P21554 1/20 0.39
MEN1 O00255 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
SCHEMBL4842563 1.00 MTNR1B (0.47) MTNR1BMTNR1ATHRBKDM4ELMNA
SCHEMBL4845668 0.95 MTNR1B (0.48) MTNR1BMTNR1AKDM4ELMNAALDH1A1
SCHEMBL4845681 0.95 MTNR1B (0.48) MTNR1BMTNR1AKDM4ELMNAALDH1A1
SCHEMBL4844080 0.94 CNR1 (0.48) MTNR1BMTNR1AKDM4ELMNAALDH1A1
SCHEMBL4844060 0.94 CNR1 (0.48) MTNR1BMTNR1AKDM4ELMNAALDH1A1
SCHEMBL4835431 0.94 LMNA (0.40) MTNR1BMTNR1ATHRBKDM4ELMNA
SCHEMBL4835408 0.94 LMNA (0.40) MTNR1BMTNR1ATHRBKDM4ELMNA
SCHEMBL4839562 0.93 CNR1 (0.49) MTNR1BMTNR1AKDM4ELMNAALDH1A1
SCHEMBL4843517 0.93 CNR1 (0.49) MTNR1BMTNR1AKDM4ELMNAALDH1A1
SCHEMBL4843522 0.93 CNR1 (0.49) MTNR1BMTNR1AKDM4ELMNAALDH1A1

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 MTNR1B 410/4885MTNR1A 312/4885THRB 2736/4885

“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.