SCHEMBL13675977

SCHEMBL13675977

CC(C)(C)c1ccc(CCC(=O)Nc2ccc3cc[nH]c3c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.60
HDAC1 Q13547 1/20 0.55
HDAC2 Q92769 1/20 0.55
ESR1 P03372 3/20 0.51
MCHR1 Q99705 10/20 0.50
MAOA P21397 1/20 0.50
NOTUM Q6P988 1/20 0.48
NLRP3 Q96P20 1/20 0.48
NR1H4 Q96RI1 1/20 0.47
BTK Q06187 1/20 0.47

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
SCHEMBL13675992 0.91 TRPV1 (0.57) TRPV1HDAC1MCHR1MAOANOTUM
SCHEMBL13675969 0.88 ESR1 (0.67) ESR1MCHR1
SCHEMBL13676167 0.84 HDAC1 (0.53) TRPV1HDAC1HDAC2ESR1MCHR1
SCHEMBL13675955 0.82 TRPV1 (0.55) TRPV1MCHR1BTK
SCHEMBL27371222 0.81 ESR1 (0.59) TRPV1HDAC1HDAC2ESR1MAOA
SCHEMBL13675972 0.81 TRPV1 (0.62) TRPV1HDAC1HDAC2MCHR1NR1H4
SCHEMBL13483891 0.80 ESR1 (0.76) TRPV1ESR1MAOABTK
SCHEMBL13675971 0.80 TRPV1 (0.58) TRPV1MCHR1NR1H4
SCHEMBL13676156 0.79 MCHR1 (0.60) ESR1MCHR1
SCHEMBL13676011 0.78 TRPV1 (0.56) TRPV1MCHR1MAOANR1H4

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 1/4885HDAC1 1024/4885HDAC2 892/4885

“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.