SCHEMBL1968683

SCHEMBL1968683

CC(C)(C)C1[C@H](c2ccc(C(F)(F)F)cc2)[C@H](NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.42
MAPT P10636 1/20 0.42
CXCR3 P49682 3/20 0.42
TACR1 P25103 1/20 0.42
UBE2M P61081 3/20 0.41
DCUN1D1 Q96GG9 3/20 0.41
CYP2D6 P10635 1/20 0.40
RHOC P08134 1/20 0.39
RHOA P61586 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL1973929 0.94 UBE2M (0.42) EPHX2MAPTCXCR3TACR1UBE2M
SCHEMBL1969545 0.94 UBE2M (0.41) EPHX2MAPTCXCR3TACR1UBE2M
SCHEMBL1968674 0.94 UBE2M (0.41) EPHX2MAPTCXCR3TACR1UBE2M
SCHEMBL1974193 0.94 TACR1 (0.48) EPHX2MAPTCXCR3TACR1UBE2M
SCHEMBL1969850 0.94 RHOC (0.48) EPHX2MAPTCXCR3TACR1UBE2M
SCHEMBL1970587 0.89 RHOC (0.39) EPHX2MAPTCXCR3TACR1UBE2M
SCHEMBL1968705 0.84 TACR1 (0.43) CXCR3TACR1
SCHEMBL1968282 0.80 KDR (0.38) MAPTCXCR3TACR1UBE2MDCUN1D1
SCHEMBL1973536 0.78 TACR1 (0.41) TACR1
SCHEMBL15463558 0.76 EPHX2 (0.47) EPHX2CXCR3UBE2MDCUN1D1

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 EPHX2 1713/4885MAPT 2535/4885CXCR3 533/4885

“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.