SCHEMBL3403676

SCHEMBL3403676

COc1ccccc1-n1cc(C)c(C(Nc2ccc(C(=O)N(C)CCC(=O)O)cc2)C2CCCCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCG P01275 8/20 0.38
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NTSR1 P30989 1/20 0.35
SLC6A9 P48067 1/20 0.34
NAMPT P43490 1/20 0.34
RCE1 Q9Y256 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL716676 0.93 HPGD (0.35) GCGHPGDHTTNPSR1NTSR1
SCHEMBL27834231 0.90 NTSR1 (0.38) GCGHPGDHTTNPSR1NTSR1
SCHEMBL717389 0.89 GCG (0.41) GCGHPGDHTTNPSR1NTSR1
SCHEMBL718677 0.88 GCG (0.34) GCGHPGDHTTNPSR1NTSR1
SCHEMBL27834377 0.87 GCG (0.40) GCGHPGDHTTNPSR1NTSR1
SCHEMBL716518 0.86 ALDH1A1 (0.40) GCGSLC6A9ALDH1A1LMNAKMT2A
SCHEMBL2669797 0.86 SLC6A9 (0.42) GCGSLC6A9KMT2A
SCHEMBL27946275 0.86 GCG (0.38) GCGHPGDHTTNPSR1NTSR1
SCHEMBL28945605 0.84 NTSR1 (0.36) GCGHPGDHTTNPSR1NTSR1
SCHEMBL719327 0.82 GCG (0.35) GCGHPGDHTTNPSR1NTSR1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 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
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

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

For each of this compound's patents that has machine-readable text (2 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 GCG 35/4885HPGD 486/4885HTT 1337/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCG 35/4885HPGD 486/4885HTT 1337/4885

“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.