SCHEMBL4181858

SCHEMBL4181858

NC(=O)c1cccc(C(F)(F)F)c1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.43
PARP1 P09874 4/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
PTGS1 P23219 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
CYP3A4 P08684 1/20 0.39
CD38 P28907 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
RBP4 P02753 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
SLC6A3 Q01959 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
SCHEMBL28093498 0.92 TAS1R3 (0.45) PNMTPARP1TAS1R3TAS1R1TAS1R2
SCHEMBL2976919 0.82 KDM4E (0.45) PARP1GAASLC6A2SLC6A4SLC6A3
SCHEMBL4184628 0.79 HTR1A (0.36) PNMTTAS1R3TAS1R1TAS1R2CYP3A4
SCHEMBL15537425 0.79 HTR2C (0.48) PARP1PTGS1CYP3A4SLC6A2SLC6A4
SCHEMBL29151656 0.78 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2RBP4TAS2R14
SCHEMBL1116601 0.78 ABCB1 (0.41) PARP1SLC6A2SLC6A4SLC6A3
SCHEMBL3840452 0.78 CXCR5 (0.45) PARP1LMNASLC6A2SLC6A4SLC6A3
SCHEMBL28819153 0.77 HTR1A (0.41) PNMTPARP1
SCHEMBL28819152 0.77 HTR1A (0.41) PNMTPARP1
SCHEMBL12818479 0.76 KDM4E (0.53) PARP1SLC6A2SLC6A4SLC6A3

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 PNMT 1314/4885PARP1 4537/4885TAS1R3 1388/4885

“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.