SCHEMBL3053508

SCHEMBL3053508

O=C(c1ccncc1)N(Cc1ccccc1)c1ccccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
GAA P10253 1/20 0.46
MLYCD O95822 3/20 0.46
GPBAR1 Q8TDU6 1/20 0.43
MAPK14 Q16539 1/20 0.42
ACHE P22303 1/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LPAR1 Q92633 1/20 0.40
LPAR5 Q9H1C0 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
OXTR P30559 1/20 0.40
AVPR1A P37288 1/20 0.40
USP2 O75604 1/20 0.40
PDK1 Q15118 1/20 0.39

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
SCHEMBL3057509 0.83 TRPM8 (0.45) TSHRGAAGPBAR1KMT2ATRPM8
SCHEMBL3065041 0.81 TSHR (0.56) TSHRGAAMLYCDGPBAR1MAPK14
SCHEMBL3064804 0.80 TRPM8 (0.63) TSHRGAAKMT2AMEN1KDM4E
SCHEMBL3064689 0.79 TSHR (0.46) TSHRGAAGPBAR1MAPK14ACHE
SCHEMBL3058316 0.78 TSHR (0.49) TSHRGAAMAPK14KMT2AMEN1
SCHEMBL3060251 0.78 TSHR (0.71) TSHRGAAMAPK14ACHEKMT2A
SCHEMBL3056500 0.78 TSHR (0.49) TSHRGAAMLYCDMAPK14ACHE
SCHEMBL3059779 0.77 KMT2A (0.52) TSHRGAAMLYCDMAPK14ACHE
SCHEMBL3054619 0.77 TRPM8 (0.52) TSHRGAAKMT2AMEN1KDM4E
SCHEMBL45807 0.76 KMT2A (0.47) TSHRGAAMLYCDGPBAR1KMT2A

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 TSHR 384/4885GAA 1212/4885MLYCD 3031/4885

“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.