SCHEMBL9109744

SCHEMBL9109744

COc1ccc2nn(-c3ccc(OC[C@H](C)NC(=O)O)cc3)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.46
MTNR1B P49286 6/20 0.46
ADORA3 P0DMS8 4/20 0.42
GCG P01275 1/20 0.41
ADRB1 P08588 3/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
ADRB2 P07550 1/20 0.40
HTR1A P08908 1/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL9110512 0.92 MTNR1A (0.58) MTNR1AMTNR1BADORA3ALDH1A1
SCHEMBL9113152 0.83 GCG (0.43) MTNR1AMTNR1BGCGMEN1NPC1
SCHEMBL9111922 0.81 MTNR1A (0.48) MTNR1AMTNR1B
SCHEMBL9113488 0.79 ACACB (0.48)
SCHEMBL9111286 0.79 ACACB (0.56)
SCHEMBL28792823 0.75 MEN1 (0.50) ADORA3GCGMEN1NPC1RAB9A
SCHEMBL9111891 0.75 ACACB (0.50) MTNR1AMTNR1B
SCHEMBL9109376 0.74 MAOB (0.52) ADORA3NPC1RAB9A
SCHEMBL9114545 0.74 ESR2 (0.57) ADORA3MEN1NPC1RAB9AKMT2A
SCHEMBL3131684 0.74 ESR2 (0.60) ADORA3MEN1NPC1RAB9AKMT2A

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
EP-2649062-B1 BICYCLIC COMPOUNDS AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) TAKEDA PHARMACEUTICAL (JP) 2015-04-08 EP disclosed
US-8729102-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-20 US disclosed
US-20120142714-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 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-20120142714-A1 BICYCLIC COMPOUND ACACA, ACACB, FABP4 MTNR1A 2074/4885MTNR1B 1522/4885ADORA3 1413/4885

“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.