SCHEMBL4846484

SCHEMBL4846484

Cc1nc2c(-c3ccc(C(C)(C)C)cc3)cccc2s1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.47
NOD1 Q9Y239 1/20 0.47
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 1/20 0.40
NR1H4 Q96RI1 3/20 0.38
TRPV1 Q8NER1 1/20 0.38
ENPP1 P22413 1/20 0.36
KIF11 P52732 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GNRHR P30968 2/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL4846110 0.87 ENPP1 (0.44) TNKSTNKS2NPC1TRPV1ENPP1
SCHEMBL4850036 0.84 ALDH1A1 (0.51) TNFNOD1TNKSTNKS2NPC1
SCHEMBL900791 0.82 ALOX5 (0.43) NPC1RAB9AENPP1SMN1; SMN2HTT
SCHEMBL19629705 0.75 L3MBTL1 (0.53) KDM4EENPP1ALDH1A1
SCHEMBL10204224 0.74 ALDH1A1 (0.41) NPC1RAB9ALMNATP53SMN1; SMN2
SCHEMBL28073818 0.73 CYP2A6 (0.46) NPC1RAB9AKDM4ELMNASMN1; SMN2
SCHEMBL901023 0.71 ENPP1 (0.41) ENPP1
SCHEMBL24522126 0.70 TSHR (0.48) NPC1RAB9AKDM4ENR1H4KIF11
SCHEMBL906903 0.70 SMN1; SMN2 (0.50) NPC1RAB9AKDM4ELMNASMN1; SMN2
SCHEMBL18118551 0.70 GLO1 (0.51) TNKS2KDM4ENR1H4KIF11LMNA

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 4 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
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 TNF 538/4885NOD1 1291/4885TNKS 2409/4885

“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.