SCHEMBL1971001

SCHEMBL1971001

CC(C)(C)C1[C@H](c2ccc(Cl)c(Cl)c2)[C@H](NC(=O)C(F)(F)F)CCN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A3 Q01959 2/20 0.37
PGR P06401 5/20 0.36
USP2 O75604 1/20 0.35
PDE5A O76074 1/20 0.35
DPP4 P27487 1/20 0.35
TACR2 P21452 3/20 0.34
TACR1 P25103 3/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
INSR P06213 1/20 0.33
ALK Q9UM73 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
SCHEMBL1972616 0.82 SLC6A4 (0.35) SLC6A4SLC6A2SLC6A3PDE5ADPP4
SCHEMBL1973935 0.82 TACR1 (0.43) TACR2TACR1
SCHEMBL1969398 0.81 LMNA (0.37) SLC6A4SLC6A2SLC6A3DPP4TACR2
SCHEMBL1972983 0.81 TACR1 (0.38) TACR2TACR1
SCHEMBL1970342 0.81 TACR1 (0.42) TACR2TACR1
SCHEMBL1970011 0.80 TACR1 (0.39) TACR2TACR1
SCHEMBL1968593 0.79 TACR2 (0.38) SLC6A4SLC6A2SLC6A3PGRPDE5A
SCHEMBL1970587 0.76 RHOC (0.39) TACR1MEN1KMT2AMAPT
SCHEMBL4153692 0.74 SLC6A2 (0.42) SLC6A4SLC6A2SLC6A3PGRTACR2
SCHEMBL4150259 0.74 SLC6A2 (0.42) SLC6A4SLC6A2SLC6A3PGRTACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
EP-2336105-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME Takeda Pharmaceutical Company Limited (JP) 2011-06-22 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-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME NTSR2, BDKRB1, AVPR1B SLC6A4 560/4885SLC6A2 520/4885SLC6A3 405/4885

“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.