SCHEMBL3095261

SCHEMBL3095261

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2cc(-c3ccccc3)oc2C)C2CCC3(CC2)OCCO3)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
MAPT P10636 2/20 0.35
CYP1A2 P05177 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 2/20 0.34
DGAT1 O75907 1/20 0.34
GPR119 Q8TDV5 2/20 0.33
ALOX12 P18054 1/20 0.33
MCHR1 Q99705 1/20 0.33
C5AR1 P21730 2/20 0.32
IDH1 O75874 1/20 0.32
TRPV4 Q9HBA0 1/20 0.31
PIK3CA P42336 1/20 0.31

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
SCHEMBL3104501 0.93 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL3107473 0.89 MEN1 (0.37) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL3095040 0.88 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL3099625 0.87 MEN1 (0.38) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL3101489 0.82 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL3109311 0.82 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL3102136 0.82 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL13093864 0.82 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL3107099 0.81 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AMAPTCYP1A2
SCHEMBL3102286 0.80 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPTCYP1A2

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 ALDH1A1 3963/4885MEN1 233/4885KMT2A 2159/4885

“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.