SCHEMBL1970045

SCHEMBL1970045

CN(C(=O)N(C)C1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1)[C@@H]1CCN(C(=O)O)C(C(C)(C)C)[C@@H]1c1cc(Cl)cc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 13/20 0.38
TACR2 P21452 6/20 0.33
TACR3 P29371 2/20 0.33
FFAR4 Q5NUL3 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
TAC3 Q9UHF0 1/20 0.31
KCNH2 Q12809 1/20 0.30
PDK2 Q15119 1/20 0.30

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
SCHEMBL1968840 0.90 TACR1 (0.42) TACR1TACR2TACR3TAC3
SCHEMBL15397565 0.80 TACR1 (0.46) TACR1TACR2TACR3TAC3
SCHEMBL15397566 0.80 TACR1 (0.46) TACR1TACR2TACR3TAC3
SCHEMBL1971048 0.78 TACR1 (0.48) TACR1TACR2TACR3TAC3
SCHEMBL30693196 0.75 TACR1 (0.43) TACR1TACR2TACR3TAC3
SCHEMBL1969075 0.74 TACR1 (0.48) TACR1TACR2TACR3KCNH2PDK2
SCHEMBL1974019 0.74 TACR1 (0.47) TACR1TACR2TACR3
SCHEMBL1969497 0.74 TACR1 (0.35) TACR1FFAR4KCNH2
Hydrochloric Acid SCHEMBL30693190 0.74 TACR1 (0.45) TACR1TACR2TACR3OPRM1OPRL1
Hydrochloric Acid SCHEMBL1974344 0.74 TACR1 (0.45) TACR1TACR2TACR3OPRM1OPRL1

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.