SCHEMBL13675957

SCHEMBL13675957

CC(C)(C)c1ccc(CCC(=O)Nc2ccc3ncccc3c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.57
TRPV1 Q8NER1 3/20 0.55
NPC1 O15118 2/20 0.54
POLB P06746 2/20 0.54
MEN1 O00255 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53
NOTUM Q6P988 1/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 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
SCHEMBL13675946 0.91 TRPV1 (0.61) MCHR1TRPV1MEN1KMT2ANOTUM
SCHEMBL13676073 0.86 TRPV1 (0.60) MCHR1TRPV1NPC1ALDH1A1CYP1A2
SCHEMBL846968 0.85 TRPV1 (0.67) TRPV1POLBMEN1KMT2ATSHR
SCHEMBL13675972 0.83 TRPV1 (0.62) MCHR1TRPV1NPC1POLBMEN1
SCHEMBL13762079 0.81 NPC1 (0.77) TRPV1NPC1POLBMEN1MAPT
SCHEMBL13675951 0.80 MCHR1 (0.64) MCHR1TRPV1
SCHEMBL3545217 0.78 NPC1 (0.65) NPC1POLBMEN1MAPTKMT2A
SCHEMBL13676058 0.78 TRPV1 (0.58) MCHR1TRPV1NPC1RAB9A
SCHEMBL29944526 0.78 NPC1 (0.77) NPC1POLBMEN1MAPTKMT2A
SCHEMBL5142389 0.78 NPC1 (0.77) NPC1POLBMEN1MAPTKMT2A

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 MCHR1 421/4885TRPV1 1/4885NPC1 2982/4885

“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.