SCHEMBL3874602

SCHEMBL3874602

Clc1cc(Oc2cccc3[nH]ccc23)ncn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 7/20 0.55
TRPA1 O75762 1/20 0.48
BRAF P15056 1/20 0.42
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
HTR1B P28222 2/20 0.39
SCN9A Q15858 1/20 0.39
RET P07949 1/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR1A P08908 3/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38
DRD2 P14416 1/20 0.38
CYP3A4 P08684 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL5108174 0.83 RHEB (0.48) RHEBTRPA1BRAFEGFRERBB2
SCHEMBL18362159 0.80 LOXL2 (0.50) RHEBTRPA1BRAFEGFRERBB2
Hydrochloric Acid SCHEMBL20337960 0.79 LOXL2 (0.49) RHEBTRPA1BRAFEGFRERBB2
SCHEMBL3885539 0.78 AHR (0.42) BRAFEGFRERBB2MAPK1MAPT
SCHEMBL3878344 0.77 BRAF (0.44) BRAFMAPK1MEN1MAPTKMT2A
SCHEMBL3874746 0.77 BRAF (0.54) BRAFDRD4DRD3DRD2
SCHEMBL9688083 0.76 RHEB (0.58) RHEBTRPA1BRAFHTR1BMAPK1
SCHEMBL31156723 0.75 RHEB (0.54) RHEBTRPA1BRAFEGFRERBB2
SCHEMBL31156705 0.75 RHEB (0.53) RHEBTRPA1BRAFHTR1BRET
SCHEMBL1499400 0.75 RHEB (0.73) RHEBTRPA1HTR1BMAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511044-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-03-31 US disclosed
US-7511044-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-03-31 US disclosed
US-7511044-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-03-31 US disclosed
EP-1720868-A1 PYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN AMGEN INC. (US) 2006-11-15 EP disclosed
WO-2005077944-A1 PYRIMIDINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS AND THEIR USE IN THE TREATMENT OF PAIN AMGEN INC. (US) 2005-08-25 WO disclosed
US-20050176726-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2005-08-11 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-20050176726-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 RHEB 3076/4885TRPA1 4/4885BRAF 735/4885

“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.