SCHEMBL5752589

SCHEMBL5752589

CC(C)(C)c1ccc(Nc2cc(-c3ccc(Cl)cc3)ncn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.63
ABL1 P00519 6/20 0.56
BCR P11274 6/20 0.56
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CLK4 Q9HAZ1 2/20 0.51
TP53 P04637 2/20 0.51
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GLA P06280 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
FAAH O00519 1/20 0.48
EGFR P00533 3/20 0.47

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
SCHEMBL1016320 0.86 ABL1 (0.76) TRPV1ABL1BCRCYP1A2CYP2C9
SCHEMBL5923900 0.86 TRPV1 (0.65) TRPV1ABL1BCRCYP1A2CYP2C9
SCHEMBL1013229 0.86 TRPV1 (0.65) TRPV1ABL1BCRCYP1A2CYP2C9
SCHEMBL5752852 0.84 MEN1 (0.62) TRPV1ABL1BCRMEN1KMT2A
SCHEMBL5923911 0.80 TRPV1 (0.56) TRPV1ABL1BCRCYP1A2CYP2C9
SCHEMBL5753921 0.79 TRPV1 (0.57) TRPV1ABL1BCRCYP1A2CYP2C9
SCHEMBL4386461 0.78 CYP1A2 (0.51) TRPV1ABL1BCRCYP1A2CYP2C9
SCHEMBL5483168 0.78 POLB (0.48) CYP1A2CLK4MEN1MAPK1CYP2C19
SCHEMBL5753334 0.78 TRPV1 (0.56) TRPV1ABL1BCRCYP1A2CYP2C9
SCHEMBL1011712 0.78 TRPV1 (1.00) TRPV1ABL1BCRMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651619-A1 SUBSTITUTED PYRIMIDIN-4-YLAMIN ANALOGUES AS VANILLOID RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2006-05-03 EP claimed
WO-2005009977-A1 SUBSTITUTED PYRIMIDIN-4-YLAMINA ANALOGUES AS VANILLOID RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2005-02-03 WO claimed
US-20060229308-A1 Substituted pyrirmidin-4-ylamine analogues as vanilloid receptor ligands NEUROGEN CORPORATION (US) 2006-10-12 US disclosed
EP-1651619-A1 SUBSTITUTED PYRIMIDIN-4-YLAMIN ANALOGUES AS VANILLOID RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2006-05-03 EP disclosed
WO-2005009977-A1 SUBSTITUTED PYRIMIDIN-4-YLAMINA ANALOGUES AS VANILLOID RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2005-02-03 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-20060229308-A1 Substituted pyrirmidin-4-ylamine analogues as vanilloid receptor ligands TRPV1, GPR17, TRPV2 TRPV1 1/4885ABL1 3315/4885BCR 1838/4885

“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.