SCHEMBL13675846

SCHEMBL13675846

CC1CN(c2nc(C(F)(F)F)ccc2/C=C/C(=O)Nc2ccc3ncsc3c2)CC(C)N1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.52
MCHR1 Q99705 4/20 0.46
CHRM5 P08912 2/20 0.40
USP30 Q70CQ3 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
OTUD7B Q6GQQ9 1/20 0.36
WDR5 P61964 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
JAK3 P52333 1/20 0.35
BTK Q06187 1/20 0.35
MAT2A P31153 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
SCHEMBL13675798 0.85 TRPV1 (0.70) TRPV1MCHR1CHRM5USP30MEN1
SCHEMBL13675843 0.85 TRPV1 (0.57) TRPV1MCHR1CHRM5USP30MEN1
SCHEMBL13675864 0.84 TRPV1 (0.71) TRPV1MCHR1CHRM5USP30MEN1
SCHEMBL13675845 0.83 TRPV1 (0.51) TRPV1MCHR1
SCHEMBL13675847 0.83 TRPV1 (0.74) TRPV1MCHR1MEN1NPC1POLB
SCHEMBL3997649 0.81 TRPV1 (0.63) TRPV1MCHR1USP30MEN1NPC1
SCHEMBL3997657 0.81 TRPV1 (0.63) TRPV1MCHR1USP30MEN1NPC1
SCHEMBL4003503 0.74 TRPV1 (0.52) TRPV1MCHR1CHRM5USP30MEN1
SCHEMBL4003499 0.74 TRPV1 (0.52) TRPV1MCHR1CHRM5USP30MEN1
SCHEMBL14566172 0.73 TRPV1 (0.61) TRPV1MCHR1MEN1NPC1RAB9A

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-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
EP-1780196-A2 Pyridine derivatives for use as vanilloid receptor ligands Amgen, Inc (US) 2007-05-02 EP disclosed
EP-1764358-A2 Cyclic amides as vanilloid receptor ligands and their use in treatments of inflammatory and neuropathic pain Amgen, Inc (US) 2007-03-21 EP 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 TRPV1 1/4885MCHR1 421/4885CHRM5 941/4885

“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.