SCHEMBL1973524

SCHEMBL1973524

CC(C)(C)C1[C@@H](NC(=O)Nc2cc(Cl)cc(Cl)c2)[C@H](c2ccc(F)cc2)CN1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
FPR2 P25090 6/20 0.37
EPHX2 P34913 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FPR1 P21462 3/20 0.35
MAOB P27338 1/20 0.34
CNR1 P21554 1/20 0.34
GRM4 Q14833 1/20 0.34
LMNA P02545 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
S1PR2 O95136 1/20 0.33
SSTR3 P32745 1/20 0.33
KCNJ6 P48051 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 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
SCHEMBL1968062 0.93 UBE2M (0.38) MEN1KMT2AFPR2MAPT
SCHEMBL1972037 0.88 FPR2 (0.37) MEN1KMT2AFPR2EPHX2MAPT
SCHEMBL1968873 0.87 TACR1 (0.41) MAPT
SCHEMBL1970589 0.87 TACR1 (0.41) MAPT
SCHEMBL1972469 0.87 TACR1 (0.41) MAPT
SCHEMBL1966863 0.83 KDR (0.38) FPR2MAPT
SCHEMBL2217579 0.80 MAPT (0.38) MEN1KMT2AEPHX2MAPTRAB9A
SCHEMBL1969884 0.79 MCHR1 (0.38) EPHX2MAPT
SCHEMBL1970104 0.79 MCHR1 (0.38) EPHX2MAPT
SCHEMBL2219649 0.77 CNR1 (0.41) MEN1KMT2AFPR2EPHX2MAPT

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 MEN1 209/4885KMT2A 1146/4885FPR2 89/4885

“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.