SCHEMBL3090795

SCHEMBL3090795

CSCCCOc1ccc(-c2cc(C(Nc3ccc(C(=O)O)cc3)C3CCCCC3)c(C)o2)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.41
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
RARB P10826 5/20 0.36
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MMP13 P45452 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
DNMT3A Q9Y6K1 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
SCHEMBL3090944 0.92 RCE1 (0.43) RCE1MEN1KMT2ALMNAGAA
SCHEMBL3095319 0.86 MAPT (0.41) MEN1KMT2ALMNAGAAHPGD
SCHEMBL13094284 0.86 GCG (0.41)
SCHEMBL3106498 0.85 ESR1 (0.34) MEN1KMT2ALMNAGAAMAPT
SCHEMBL13094285 0.85 SLC6A9 (0.34) RCE1MEN1KMT2ALMNAGAA
SCHEMBL3094894 0.82 RCE1 (0.49) RCE1MEN1KMT2AGAAHPGD
SCHEMBL3102234 0.82 GCGR (0.42) RCE1HPGDMAPTALDH1A1
SCHEMBL3113651 0.82 RCE1 (0.45) RCE1MEN1KMT2AALDH1A1MMP13
SCHEMBL3095487 0.82 RCE1 (0.45) RCE1MEN1KMT2AMAPTALDH1A1
SCHEMBL3101341 0.81 RCE1 (0.48) RCE1MEN1KMT2ALMNAGAA

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 RCE1 3126/4885MEN1 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.