SCHEMBL1972983

SCHEMBL1972983

CC(C)(C)C1[C@H](c2ccc(Cl)c(Cl)c2)[C@H](NC(=O)N(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2CC2)CCN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 16/20 0.38
TACR2 P21452 9/20 0.38
TACR3 P29371 2/20 0.38
TAC3 Q9UHF0 1/20 0.35
RHOC P08134 1/20 0.33
RHOA P61586 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
GLP1R P43220 2/20 0.32
GCGR P47871 2/20 0.32
GIPR P48546 2/20 0.32

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
SCHEMBL1973935 0.91 TACR1 (0.43) TACR1TACR2TACR3TAC3
SCHEMBL1970342 0.86 TACR1 (0.42) TACR1TACR2
SCHEMBL1971001 0.81 SLC6A4 (0.37) TACR1TACR2
SCHEMBL1970011 0.80 TACR1 (0.39) TACR1TACR2TACR3TAC3
SCHEMBL15397633 0.79 TACR1 (0.48) TACR1TACR2TACR3TAC3
SCHEMBL1973536 0.79 TACR1 (0.41) TACR1TACR2TACR3
SCHEMBL1970587 0.77 RHOC (0.39) TACR1RHOCRHOA
SCHEMBL1972982 0.75 TACR1 (0.46) TACR1TACR2TACR3TAC3
SCHEMBL30693186 0.75 TACR1 (0.46) TACR1TACR2TACR3TAC3
SCHEMBL1969850 0.75 RHOC (0.48) TACR1RHOCRHOA

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 TACR1 13/4885TACR2 29/4885TACR3 82/4885

“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.