SCHEMBL13675819

SCHEMBL13675819

O=C(/C=C/c1ccc(C(F)(F)F)cc1)Nc1ccc2ncsc2c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
NPC1 O15118 1/20 0.60
POLB P06746 1/20 0.60
RAB9A P51151 1/20 0.60
KMT2A Q03164 1/20 0.60
MAOB P27338 2/20 0.58
MCHR1 Q99705 12/20 0.58
TRPV1 Q8NER1 1/20 0.55
CA12 O43570 2/20 0.53
CA9 Q16790 2/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
NTRK1 P04629 1/20 0.53
NTRK2 Q16620 1/20 0.53

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
SCHEMBL13675632 0.89 TRPV1 (0.61) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL3999015 0.86 MEN1 (0.54) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL3999020 0.86 MEN1 (0.54) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL13675829 0.85 MEN1 (0.58) MEN1NPC1RAB9AKMT2AMAOB
SCHEMBL13675792 0.84 NAMPT (0.48) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL3939567 0.83 NPC1 (0.62) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL3939561 0.83 NPC1 (0.62) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL13675754 0.81 MCHR1 (0.64) MAOBMCHR1
SCHEMBL3997657 0.80 TRPV1 (0.63) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL3997649 0.80 TRPV1 (0.63) MEN1NPC1POLBRAB9AKMT2A

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-20090264424-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. 2009-10-22 US disclosed
US-20090264424-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. 2009-10-22 US disclosed
US-7582657-B2 Treating inflammatory and neuropathic pain, headache, arthritis, rheumatic diseases, osteoarthritis, inflammatory bowel disorders, eye disorders, bladder disorders, psoriasis, skin disorders, asthma, herpes simplex AMGEN INC. (US) 2009-09-01 US disclosed
US-7582657-B2 Treating inflammatory and neuropathic pain, headache, arthritis, rheumatic diseases, osteoarthritis, inflammatory bowel disorders, eye disorders, bladder disorders, psoriasis, skin disorders, asthma, herpes simplex AMGEN INC. (US) 2009-09-01 US disclosed
US-7579347-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-08-25 US disclosed
US-7579347-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-08-25 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-20090264424-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS TRPV1, TRPV2, TRPV3 MEN1 3504/4885NPC1 2982/4885POLB 3171/4885

“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.