SCHEMBL1969398

SCHEMBL1969398

CC(C)(C)C1[C@H](c2ccc(Cl)c(Cl)c2)[C@H](NCCNc2ccccc2)CCN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
SLC6A4 P31645 5/20 0.35
SLC6A2 P23975 4/20 0.35
SLC6A3 Q01959 4/20 0.35
CRHR1 P34998 2/20 0.35
UTS2R Q9UKP6 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TACR2 P21452 6/20 0.34
TACR1 P25103 6/20 0.34
DPP4 P27487 1/20 0.34
NOTUM Q6P988 1/20 0.34

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
SCHEMBL1971001 0.81 SLC6A4 (0.37) LMNATP53MAPTSLC6A4SLC6A2
SCHEMBL1974696 0.81 PTPRB (0.33) SLC6A4SLC6A2SLC6A3UTS2R
SCHEMBL1972616 0.80 SLC6A4 (0.35) LMNATP53MAPTSLC6A4SLC6A2
SCHEMBL15397635 0.76 LMNA (0.43) LMNATP53MAPTSLC6A4SLC6A2
SCHEMBL1970342 0.75 TACR1 (0.42) TACR2TACR1
SCHEMBL1969394 0.74 TACR1 (0.44) SLC6A4SLC6A2SLC6A3TACR1
SCHEMBL1973935 0.74 TACR1 (0.43) TACR2TACR1
SCHEMBL1972983 0.73 TACR1 (0.38) TACR2TACR1
SCHEMBL1968593 0.73 TACR2 (0.38) SLC6A4SLC6A2SLC6A3TACR2TACR1
SCHEMBL1971145 0.72 PDE5A (0.35) SLC6A4SLC6A2SLC6A3MEN1KMT2A

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 LMNA 1748/4885TP53 4167/4885MAPT 2535/4885

“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.