SCHEMBL16614948

SCHEMBL16614948

CC(C)c1cc(-c2ccc(OC(F)(F)F)cc2)nn2cc(C(=O)N3CCN(C(=O)C(C)(C)O)CC3(C)C)nc12

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 7/20 0.70
GCGR P47871 1/20 0.34
HCRTR1 O43613 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
ABHD6 Q9BV23 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
CCKAR P32238 1/20 0.33
SUCNR1 Q9BXA5 1/20 0.33
DAGLA Q9Y4D2 1/20 0.33
TACR3 P29371 1/20 0.33
HCRTR2 O43614 1/20 0.33
SCN9A Q15858 1/20 0.33
F2RL3 Q96RI0 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
SCHEMBL16614946 0.91 F2RL1 (0.69) F2RL1HCRTR1TRPV1HCRTR2SCN9A
SCHEMBL16614592 0.91 F2RL1 (0.81) F2RL1
SCHEMBL16614947 0.90 F2RL1 (0.70) F2RL1CCKAR
SCHEMBL16614855 0.90 F2RL1 (0.69) F2RL1
SCHEMBL16614738 0.88 F2RL1 (0.69) F2RL1
SCHEMBL16615020 0.87 F2RL1 (0.66) F2RL1HCRTR1HCRTR2SCN9A
SCHEMBL16614733 0.86 F2RL1 (0.70) F2RL1
SCHEMBL16614853 0.86 F2RL1 (0.66) F2RL1
SCHEMBL16614773 0.86 F2RL1 (0.68) F2RL1
SCHEMBL16614852 0.86 F2RL1 (0.68) F2RL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190119282-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2019-04-25 US disclosed
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-24 US disclosed
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-24 US disclosed
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2016-10-27 US disclosed
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2016-10-27 US disclosed
WO-2015048245-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-04-02 WO 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 (3 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-20190119282-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885GCGR 351/4885HCRTR1 1762/4885
US-20160311825-A1 IMIDAZOPYRIDAZINES USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, F2R, F2RL3 F2RL1 1/4885GCGR 351/4885HCRTR1 1762/4885
US-10030024-B2 Imidazopyridazines useful as inhibitors of the PAR-2 signaling pathway F2RL1, F2R, F2RL3 F2RL1 1/4885GCGR 351/4885HCRTR1 1762/4885

“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.