SCHEMBL4845668

SCHEMBL4845668

CCCCC(=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
MTNR1B P49286 3/20 0.48
MTNR1A P48039 2/20 0.48
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
CNR1 P21554 2/20 0.44
CNR2 P34972 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 5/20 0.41
HTT P42858 1/20 0.41
HPGD P15428 3/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40

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
SCHEMBL4845681 1.00 MTNR1B (0.48) MTNR1BMTNR1AKMT2AMEN1MAPT
SCHEMBL4844060 0.97 CNR1 (0.48) MTNR1BMTNR1AKMT2AMEN1MAPT
SCHEMBL4844080 0.97 CNR1 (0.48) MTNR1BMTNR1AKMT2AMEN1MAPT
SCHEMBL4839574 0.97 CNR1 (0.49) MTNR1BMTNR1AKMT2AMEN1MAPT
SCHEMBL4843522 0.97 CNR1 (0.49) MTNR1BMTNR1AKMT2AMEN1MAPT
SCHEMBL4839562 0.97 CNR1 (0.49) MTNR1BMTNR1AKMT2AMEN1MAPT
SCHEMBL4843517 0.97 CNR1 (0.49) MTNR1BMTNR1AKMT2AMEN1MAPT
SCHEMBL4842547 0.95 MTNR1B (0.47) MTNR1BMTNR1AKMT2AMEN1MAPT
SCHEMBL4842563 0.95 MTNR1B (0.47) MTNR1BMTNR1AKMT2AMEN1MAPT
SCHEMBL4843932 0.92 L3MBTL1 (0.42) MTNR1BMTNR1AKMT2AMEN1MAPT

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 312/4885KMT2A 4642/4885

“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.