SCHEMBL15717246

SCHEMBL15717246

CN(C(=O)c1ccc(F)cc1)c1ccn2ncc(-c3ccc(C(F)(F)F)cc3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.40
TACR2 P21452 3/20 0.39
TACR1 P25103 3/20 0.39
GPBAR1 Q8TDU6 8/20 0.38
MLYCD O95822 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
RET P07949 1/20 0.36
NTRK1 P04629 2/20 0.36
NR1H3 Q13133 1/20 0.36
MLNR O43193 1/20 0.36

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
SCHEMBL15718134 0.91 TACR1 (0.46) MCHR1TACR2TACR1GPBAR1MLYCD
SCHEMBL15717119 0.90 MLYCD (0.39) MCHR1TACR2TACR1GPBAR1MLYCD
SCHEMBL15717796 0.89 CYP11B2 (0.41) MCHR1GPBAR1MLYCD
SCHEMBL15717611 0.89 KCNH2 (0.44) MCHR1GPBAR1
SCHEMBL15717718 0.88 RET (0.43) ALDH1A1CYP1A2CYP3A4TSHRCLK4
SCHEMBL15717704 0.88 P2RY14 (0.40) MCHR1MLNR
SCHEMBL15717360 0.87 NTRK1 (0.41) MLYCDNTRK1
SCHEMBL15762387 0.87 MCHR1 (0.38) MCHR1TACR2TACR1GPBAR1MLYCD
SCHEMBL15717420 0.87 NTRK1 (0.37) MCHR1GPBAR1NTRK1MLNR
SCHEMBL15718266 0.87 MCHR1 (0.38) MCHR1TACR2TACR1GPBAR1NTRK1

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190030009-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CRYPTOSPORIDIOSIS NOVARTIS AG (CH) 2019-01-31 US claimed
EP-2925757-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2017-10-04 EP claimed
US-9556169-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2017-01-31 US claimed
US-20160333012-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2016-11-17 US claimed
US-20150344471-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2015-12-03 US claimed
US-20150011522-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2015-01-08 US claimed
US-8871754-B2 Compounds and compositions for the treatment of parasitic diseases IRM LLC (BM) 2014-10-28 US claimed
US-20140155367-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2014-06-05 US claimed
US-20190030009-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CRYPTOSPORIDIOSIS NOVARTIS AG (CH) 2019-01-31 US disclosed
US-9926314-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2018-03-27 US disclosed
US-9926314-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2018-03-27 US disclosed
US-9926314-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2018-03-27 US disclosed
EP-2925757-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2017-10-04 EP disclosed
WO-2017125898-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CRYPTOSPORIDIOSIS NOVARTIS AG (CH) 2017-07-27 WO disclosed
EP-2740781-A1 Foaming composition with wettability modifying and corrosion inhibitory properties for high temperature and ultra-high salinity Instituto Mexicano Del Petróleo (MX) 2014-06-11 EP disclosed
US-20140151041-A1 FOAMING COMPOSITION WITH WETTABILITY MODIFYING AND CORROSION INHIBITORY PROPERTIES FOR HIGH TEMPERATURE AND ULTRA-HIGH SALINITY INSTITUTO MEXICANO DEL PETROLEO (MX) 2014-06-05 US disclosed
US-20140155367-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2014-06-05 US disclosed
US-20140155367-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2014-06-05 US disclosed
WO-2014078802-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2014-05-22 WO disclosed
WO-2014078802-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES IRM LLC (BM) 2014-05-22 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 (5 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-20150344471-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 MCHR1 1006/4885TACR2 1992/4885TACR1 616/4885
US-20150011522-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 MCHR1 1006/4885TACR2 1992/4885TACR1 616/4885
US-20140155367-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 MCHR1 1006/4885TACR2 1992/4885TACR1 616/4885
US-20160333012-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 MCHR1 1006/4885TACR2 1992/4885TACR1 616/4885
US-20190030009-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CRYPTOSPORIDIOSIS PI4KA, PI4K2A, PIP4K2A MCHR1 4387/4885TACR2 3888/4885TACR1 4147/4885

“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.