SCHEMBL716520

SCHEMBL716520

CCOC(=O)CCN(C)C(=O)c1ccc(N)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
CYP1A2 P05177 3/20 0.53
CYP3A4 P08684 3/20 0.53
MAOA P21397 2/20 0.53
PHLPP2 Q6ZVD8 1/20 0.47
TSHR P16473 3/20 0.44
CYP2D6 P10635 2/20 0.44
HTR3A P46098 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
BLM P54132 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
GAA P10253 1/20 0.42
DRD3 P35462 1/20 0.42
SCN1A P35498 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42

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
Hydrochloric Acid SCHEMBL28746969 0.99 LMNA (0.51) LMNACYP1A2CYP3A4MAOAPHLPP2
SCHEMBL3095592 0.81 LMNA (0.49) LMNAKCNH2SMN1; SMN2ALDH1A1KDM4E
SCHEMBL5123550 0.79 NAMPT (0.48) LMNACYP1A2CYP3A4MAOAPHLPP2
SCHEMBL7002275 0.77 SMN1; SMN2 (0.40) LMNACYP1A2CYP3A4TSHRCYP2D6
SCHEMBL5276569 0.77 LTA4H (0.50) LMNACYP1A2CYP3A4MAOAPHLPP2
SCHEMBL15128280 0.76 DRD2 (0.46) LMNACYP1A2CYP3A4MAOAPHLPP2
SCHEMBL6650021 0.76 LMNA (0.61) LMNACYP1A2CYP3A4MAOATSHR
SCHEMBL12459914 0.76 HDAC4 (0.48) LMNACYP1A2CYP3A4MAOAPHLPP2
SCHEMBL1409728 0.76 PHLPP2 (0.56) LMNACYP1A2CYP3A4MAOAPHLPP2
SCHEMBL25526179 0.76 LMNA (0.48) LMNACYP1A2CYP3A4MAOAPHLPP2

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 8 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 3028/4885CYP1A2 774/4885CYP3A4 834/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP LMNA 3028/4885CYP1A2 774/4885CYP3A4 834/4885
US-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR LMNA 2457/4885CYP1A2 1570/4885CYP3A4 1502/4885

“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.