SCHEMBL720153

SCHEMBL720153

OC(c1cn(-c2ccc(C(F)(F)F)cn2)nc1CCc1ccccc1)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMO Q99835 4/20 0.38
HDAC4 P56524 1/20 0.38
GCG P01275 4/20 0.37
SGPL1 O95470 1/20 0.37
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM4 P08173 1/20 0.36
S100A4 P26447 1/20 0.35
CCR3 P51677 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL721405 0.88 GCG (0.37) HDAC4GCGS100A4
SCHEMBL720842 0.85 GCG (0.38) HDAC4GCG
SCHEMBL720518 0.83 LMNA (0.37) HDAC4GCGL3MBTL1
SCHEMBL27852631 0.80 HDAC4 (0.40) HDAC4GCGS100A4L3MBTL1
SCHEMBL720617 0.80 KDM4E (0.39) HDAC4GCGL3MBTL1
SCHEMBL716044 0.80 TSHR (0.39) L3MBTL1
SCHEMBL718917 0.79 TMEM97 (0.38) SMOHDAC4GCG
SCHEMBL718407 0.79 PDE2A (0.39) HDAC4GCG
SCHEMBL720524 0.79 HRH3 (0.37) HDAC4GCGL3MBTL1
SCHEMBL717956 0.78 GCG (0.63) GCG

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
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-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 SMO 307/4885HDAC4 157/4885GCG 35/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP SMO 307/4885HDAC4 157/4885GCG 35/4885

“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.