SCHEMBL4184628

SCHEMBL4184628

NC(=O)c1ccc(C(F)(F)F)c(C2CC2)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.36
NOTUM Q6P988 1/20 0.35
SLC9A1 P19634 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.34
RPS6KB1 P23443 2/20 0.34
CES2 O00748 2/20 0.33
PARP10 Q53GL7 2/20 0.33
CRBN Q96SW2 1/20 0.33
KDM1A O60341 1/20 0.33
PARP15 Q460N3 1/20 0.33
DGAT1 O75907 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
JAK2 O60674 1/20 0.33
NTRK1 P04629 1/20 0.33
WDR5 P61964 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
SCHEMBL4191551 0.80 HTR1A (0.42) HTR1ACES2PARP10PARP15DGAT1
SCHEMBL4181858 0.79 PNMT (0.43) CYP3A4TAS1R3TAS1R1TAS1R2SLC6A3
SCHEMBL5025538 0.78 CES2 (0.40) RPS6KB1CES2DGAT1WDR5
SCHEMBL16463398 0.77 CYP2C9 (0.37) HTR1ASLC9A1CYP3A4CYP2C9CYP2C19
SCHEMBL14837702 0.74 PARP1 (0.36) SLC9A1CYP3A4CYP2C9CYP2D6CRBN
SCHEMBL2770591 0.73 CES2 (0.42) HTR1ACES2PARP10PARP15DGAT1
SCHEMBL10449035 0.73 MAPT (0.38) CYP2C9PARP10PARP15DGAT1SLC6A3
SCHEMBL28093498 0.73 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2CAMKK2PNMT
SCHEMBL16762134 0.72 TAS2R14 (0.40) NOTUMCYP2C19CYP2D6
SCHEMBL26510361 0.72 TAS1R3 (0.41) SLC9A1CRBNTAS1R3TAS1R1TAS1R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 US 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-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRM1, GRIN1, GRM2 HTR1A 287/4885NOTUM 4204/4885SLC9A1 743/4885

“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.