SCHEMBL4849987

SCHEMBL4849987

Brc1cncc(Nc2ccc3c(c2)OCCO3)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHOA P61586 1/20 0.58
BRAF P15056 3/20 0.52
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ABCB1 P08183 1/20 0.47
ABCC1 P33527 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
KDM1A O60341 1/20 0.47
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
GAA P10253 2/20 0.43
IGF1R P08069 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL4849792 0.77 RAB9A (0.60) RHOANPC1RAB9ATP53SMN1; SMN2
SCHEMBL658140 0.74 RHOA (0.57) RHOABRAFNPC1RAB9ASMN1; SMN2
SCHEMBL4848378 0.74 TRPV1 (0.67) RHOABRAFRAB9ASMN1; SMN2ABCB1
SCHEMBL24777901 0.74 ADRA2A (0.61) RHOANPC1RAB9ASMN1; SMN2KDM1A
SCHEMBL14545188 0.71 ADRA2A (0.48) RHOABRAFNPC1RAB9ATP53
SCHEMBL656619 0.70 PLK1 (0.62) RHOABRAFNPC1RAB9AADRA2A
SCHEMBL656222 0.69 IGF1R (0.68) BRAFIGF1RCDK1
SCHEMBL656388 0.69 RHOA (0.54) RHOABRAFNPC1RAB9ASMN1; SMN2
SCHEMBL658259 0.69 RHOA (0.51) RHOABRAFNPC1RAB9ATP53
SCHEMBL13663572 0.68 AURKA (0.58) RHOABRAFNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390907-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-06-24 US disclosed
US-7390907-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-06-24 US disclosed
US-7390907-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-06-24 US disclosed
EP-1780211-A2 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-05-02 EP disclosed
EP-1775295-A1 Vanilloid receptor ligands and their use in treatments Amgen Inc. (US) 2007-04-18 EP disclosed
EP-1670794-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2006-06-21 EP disclosed
US-20050153984-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-07-14 US disclosed
WO-2005033105-A2 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2005-04-14 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-20050153984-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 RHOA 964/4885BRAF 838/4885NPC1 2938/4885

“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.