SCHEMBL718603

SCHEMBL718603

CCOC(=O)CCNC(=O)c1ccc(N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
CYP2C19 P33261 2/20 0.56
SLC22A2 O15244 1/20 0.56
SLC22A1 O15245 1/20 0.56
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
ACHE P22303 1/20 0.56
MAPK1 P28482 1/20 0.56
MAPT P10636 2/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
MAOA P21397 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HDAC3 O15379 3/20 0.50
HDAC4 P56524 3/20 0.50
HDAC1 Q13547 3/20 0.50
HDAC7 Q8WUI4 3/20 0.50
HDAC2 Q92769 3/20 0.50

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
SCHEMBL14679110 0.88 LMNA (0.58) LMNAMAPTSMN1; SMN2PRSS1CTSG
SCHEMBL2273609 0.86 MAPT (0.56) CYP2C19ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL2667533 0.86 LMNA (0.56) LMNACYP2C19SLC22A2SLC22A1ALDH1A1
SCHEMBL2650933 0.85 MAPT (0.53) CYP2C19ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL23782641 0.85 HPGD (0.61) CYP2C19ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL14172931 0.85 MAPT (0.55) CYP2C19ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL8879612 0.85 MAPT (0.55) CYP2C19ALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL11432192 0.84 NPC1 (0.67) LMNACYP2C19SLC22A2SLC22A1ALDH1A1
SCHEMBL27439930 0.84 PRSS1 (0.71) LMNACYP2C19ALDH1A1MAPTCYP1A2
Hydrochloric Acid SCHEMBL2651455 0.84 MAPT (0.52) CYP2C19ALDH1A1MAPTBLMPMP22

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 10 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-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP 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
US-20040152750-A1 Novel glucagon antagonists NOVO NORDISK A/S (DK) 2004-08-05 US disclosed
WO-2004056763-A2 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2004-07-08 WO 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 (4 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP LMNA 3028/4885CYP2C19 946/4885SLC22A2 883/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP LMNA 3028/4885CYP2C19 946/4885SLC22A2 883/4885
US-20040152750-A1 Novel glucagon antagonists GLP1R, GCGR, GIPR LMNA 4032/4885CYP2C19 4401/4885SLC22A2 2886/4885
US-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR LMNA 2457/4885CYP2C19 1582/4885SLC22A2 2412/4885

“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.