SCHEMBL3101416

SCHEMBL3101416

Cc1oc(-c2cccc(C(N)=O)c2)cc1C(Nc1ccc(C(=O)N(C)CCC(=O)O)cc1)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.35
F3 P13726 1/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
FAAH O00519 2/20 0.34
TRPA1 O75762 1/20 0.34
FAAH2 Q6GMR7 1/20 0.34
MGLL Q99685 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
RCE1 Q9Y256 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LDHA P00338 1/20 0.33

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
SCHEMBL3242095 0.93 EPHX2 (0.37) EPHX2F3MEN1ALDH1A1KMT2A
SCHEMBL13093864 0.91 ALDH1A1 (0.41) MEN1ALDH1A1KMT2AHDAC6RCE1
SCHEMBL3102136 0.90 ALDH1A1 (0.41) MEN1ALDH1A1KMT2AHDAC6RCE1
SCHEMBL3109311 0.89 ALDH1A1 (0.41) MEN1ALDH1A1KMT2AHDAC6RCE1
SCHEMBL3104640 0.87 GCG (0.42) F3CYP2D6GCG
SCHEMBL3101072 0.86 AKR1C3 (0.41) EPHX2MEN1ALDH1A1KMT2AHDAC6
SCHEMBL3109932 0.86 RCE1 (0.38) EPHX2MEN1ALDH1A1KMT2ARCE1
SCHEMBL3102500 0.86 TACR1 (0.39) MEN1ALDH1A1KMT2ARCE1CYP1A2
SCHEMBL3106912 0.86 MMP13 (0.37) MEN1ALDH1A1KMT2ARCE1CYP1A2
SCHEMBL3107099 0.86 ALDH1A1 (0.40) MEN1ALDH1A1KMT2AHDAC6CYP1A2

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 7 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-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US 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
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR EPHX2 1411/4885F3 385/4885MEN1 233/4885

“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.