SCHEMBL3044381

SCHEMBL3044381

Cc1cnccc1C(=O)N(CCc1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.44
KDM6B O15054 5/20 0.43
KDM4C Q9H3R0 5/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PDK1 Q15118 4/20 0.42
KMT2A Q03164 1/20 0.42
KDM4D Q6B0I6 2/20 0.41
EGLN3 Q9H6Z9 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL3065409 0.88 GAA (0.63) TSHRGAAHTTPDK1KMT2A
SCHEMBL3062368 0.84 GAA (0.64) TSHRGAAPDK1
SCHEMBL3061621 0.82 GAA (0.55) TSHRGAACYP2C19PDK1KMT2A
SCHEMBL3059962 0.81 GAA (0.54) TSHRGAAKDM4CPDK1LTB4R2
SCHEMBL3055205 0.81 RAB9A (0.58) TSHRGAAHTTPDK1KMT2A
SCHEMBL3062054 0.81 HTT (0.45) TSHRGAAHTTKDM6BKDM4C
SCHEMBL3060075 0.80 GAA (0.53) TSHRGAAPDK1NOS3NOS1
SCHEMBL3053488 0.80 MAPK14 (0.54) TSHRGAAPDK1KMT2ALTB4R2
SCHEMBL3054727 0.80 GAA (0.53) TSHRGAAPDK1PDK2PDK3
SCHEMBL3057449 0.80 GAA (0.53) TSHRGAAPDK1LTB4R2NOS3

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 3 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
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 1212/4885HTT 236/4885

“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.