SCHEMBL3102355

SCHEMBL3102355

CCOC(=O)CCN(C)C(=O)c1ccc(NC(CC(C)C)c2cc(-c3ccc(OC)nc3)oc2C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.37
OXTR P30559 1/20 0.34
GABRA1 P14867 1/20 0.34
JMJD6 Q6NYC1 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
BTK Q06187 2/20 0.33
PIK3CA P42336 3/20 0.33
HDAC1 Q13547 2/20 0.33
GCG P01275 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
DGAT1 O75907 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
POLB P06746 1/20 0.32
SYK P43405 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32

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
SCHEMBL3102341 0.93 HDAC6 (0.39) HDAC6OXTRGABRA1NPC1RAB9A
SCHEMBL3099769 0.92 DGAT1 (0.33) HDAC6OXTRGABRA1JMJD6NPC1
SCHEMBL3102962 0.89 MAPT (0.39) NPC1RAB9A
SCHEMBL3090382 0.87 BRAF (0.40) HDAC6GABRA1NPC1RAB9AHDAC1
SCHEMBL3102884 0.86 MEN1 (0.38) HDAC6GCGDGAT1
SCHEMBL3099380 0.85 HSD17B2 (0.38) HDAC6NPC1RAB9AHDAC1
SCHEMBL3095180 0.84 HDAC6 (0.35) HDAC6OXTRGABRA1NPC1RAB9A
SCHEMBL3107497 0.84 DGAT1 (0.36) HDAC6OXTRNPC1RAB9ABTK
SCHEMBL3110211 0.82 GCG (0.38) GCGDGAT1
SCHEMBL3100074 0.81 GCGR (0.39) HDAC6JMJD6GCG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 EP 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR HDAC6 2860/4885OXTR 237/4885GABRA1 1289/4885

“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.