SCHEMBL1409609

SCHEMBL1409609

O[C@H]1CCN(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.50
ADRB1 P08588 1/20 0.50
NOTUM Q6P988 2/20 0.47
IDH2 P48735 3/20 0.46
FFAR4 Q5NUL3 2/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
AR P10275 1/20 0.42
LMNA P02545 1/20 0.42
METAP2 P50579 4/20 0.41
SLC6A3 Q01959 2/20 0.41
GABRA1 P14867 1/20 0.41
CETP P11597 1/20 0.39

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
SCHEMBL1410372 1.00 DPP4 (0.50) DPP4ADRB1NOTUMIDH2FFAR4
SCHEMBL1409363 1.00 DPP4 (0.50) DPP4ADRB1NOTUMIDH2FFAR4
SCHEMBL14092978 0.92 FFAR4 (0.49) DPP4ADRB1NOTUMIDH2FFAR4
SCHEMBL1410379 0.91 FFAR4 (0.48) DPP4ADRB1NOTUMIDH2FFAR4
SCHEMBL2938821 0.91 DPP4 (0.46) DPP4ADRB1NOTUMIDH2FFAR4
SCHEMBL17491541 0.89 DPP4 (0.42) DPP4ADRB1NOTUMIDH2FFAR4
SCHEMBL10104300 0.89 FFAR4 (0.49) DPP4ADRB1NOTUMIDH2FFAR4
SCHEMBL1410094 0.89 FFAR4 (0.50) DPP4ADRB1NOTUMIDH2FFAR4
SCHEMBL1410728 0.89 DPP4 (0.42) DPP4ADRB1NOTUMIDH2FFAR4
SCHEMBL14117187 0.85 DPP4 (0.48) DPP4ADRB1NOTUMIDH2FFAR4

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-2295406-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-04-23 EP disclosed
US-8338622-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-25 US disclosed
US-20110251187-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-13 US disclosed
EP-2295406-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-03-16 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-20110251187-A1 HETEROCYCLIC COMPOUND NES, BMI1, DOT1L DPP4 1356/4885ADRB1 2484/4885NOTUM 874/4885

“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.