SCHEMBL13675666

SCHEMBL13675666

CC(C)(C)c1ccc(/C=C/C(=O)Nc2cccc3ncccc23)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.67
KMT2A Q03164 5/20 0.67
PABPC1 P11940 2/20 0.67
EIF4H Q15056 2/20 0.67
TRPV1 Q8NER1 5/20 0.65
NPC1 O15118 5/20 0.65
RAB9A P51151 5/20 0.65
LMNA P02545 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
MAPT P10636 2/20 0.60
HPGD P15428 2/20 0.60
ALDH1A1 P00352 2/20 0.60
HDAC6 Q9UBN7 2/20 0.57
TNIK Q9UKE5 1/20 0.57
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.55
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.48
HTT P42858 1/20 0.48
HDAC1 Q13547 1/20 0.48

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
SCHEMBL13675886 0.83 TRPV1 (0.66) MEN1KMT2ATRPV1NPC1RAB9A
SCHEMBL14566085 0.82 NPC1 (0.69) MEN1KMT2ATRPV1NPC1RAB9A
SCHEMBL13675879 0.82 NPC1 (0.73) MEN1KMT2ATRPV1NPC1RAB9A
SCHEMBL13675771 0.82 TRPV1 (0.75) MEN1KMT2ATRPV1NPC1RAB9A
SCHEMBL846755 0.81 NPC1 (0.57) MEN1KMT2ATRPV1NPC1RAB9A
SCHEMBL846459 0.81 NPC1 (0.57) MEN1KMT2ATRPV1NPC1RAB9A
SCHEMBL13762083 0.81 MEN1 (1.00) MEN1KMT2APABPC1EIF4HRAB9A
SCHEMBL19631333 0.81 HDAC6 (0.73) MEN1KMT2APABPC1EIF4HSMN1; SMN2
SCHEMBL21356300 0.81 HDAC6 (0.73) MEN1KMT2APABPC1EIF4HSMN1; SMN2
SCHEMBL846660 0.80 NPC1 (0.56) MEN1KMT2ATRPV1NPC1RAB9A

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 MEN1 3504/4885KMT2A 3777/4885PABPC1 4547/4885

“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.