SCHEMBL3058487

SCHEMBL3058487

Cc1cnccc1C(=O)N(Cc1ccccc1C(F)(F)F)c1cccc(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 8/20 0.46
NR3C1 P04150 1/20 0.42
TACR1 P25103 2/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.41
KDM4C Q9H3R0 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GLA P06280 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL3061240 0.86 NOS3 (0.47) GPBAR1NR3C1TACR1NOS3NOS1
SCHEMBL3053183 0.86 SGMS2 (0.43) GPBAR1TACR1NOS3NOS1NOS2
SCHEMBL3064987 0.84 KDM4C (0.45) GPBAR1NR3C1NOS3NOS1NOS2
SCHEMBL3043781 0.83 KDM4C (0.41) GPBAR1TACR1NOS3NOS1NOS2
SCHEMBL3057326 0.82 TRPM8 (0.51) MEN1KMT2AMAPTKDM4CALDH1A1
SCHEMBL3053511 0.82 TSPO (0.51) NR3C1MEN1KMT2AMAPTKDM4C
SCHEMBL3057509 0.81 TRPM8 (0.45) GPBAR1TACR1KMT2AMAPTGAA
SCHEMBL3053395 0.76 GPBAR1 (0.40) GPBAR1TACR1NOS3NOS1NOS2
SCHEMBL3050510 0.76 ALDH1A1 (0.46) NR3C1NOS3NOS1NOS2MEN1
SCHEMBL3064588 0.76 NOS3 (0.44) GPBAR1NOS3NOS1NOS2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS NOVARTIS AG (CH) 2010-10-14 US disclosed
CN-101405268-A Amide derivatives and their use for the treatment of protein-related diseases NOVARTIS AG (CH) 2009-04-08 CN disclosed
EP-2001851-A2 AMIDE DERIVATIVES AND THEIR APPLICATION FOR THE TREAMENT OF G PROTEIN RELATED DISEASES Novartis AG (CH) 2008-12-17 EP disclosed
WO-2007110237-A2 AMIDE DERIVATIVES AND THEIR APPLICATION FOR THE TREATMENT OF G PROTEIN RELATED DISEASES NOVARTIS AG (CH) 2007-10-04 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 (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-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS HRH4, CNR1, CNR2 GPBAR1 590/4885NR3C1 921/4885TACR1 83/4885

“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.