SCHEMBL13675888

SCHEMBL13675888

CC(C)(C)c1ccc(/C=C/C(=O)Nc2cnccn2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.66
RAB9A P51151 5/20 0.66
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
SMN1; SMN2 Q16637 5/20 0.64
MAPT P10636 3/20 0.64
LMNA P02545 2/20 0.64
KDM4E B2RXH2 1/20 0.64
POLB P06746 1/20 0.64
HPGD P15428 1/20 0.64
MAPK1 P28482 1/20 0.64
TP53 P04637 2/20 0.64
NFKB1 P19838 1/20 0.64
NFKB2 Q00653 1/20 0.64
RELA Q04206 1/20 0.64
TRPV1 Q8NER1 10/20 0.58
L3MBTL1 Q9Y468 1/20 0.52
TNIK Q9UKE5 1/20 0.50
CYP1A2 P05177 1/20 0.50
DHODH Q02127 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
SCHEMBL13675883 0.83 NPC1 (0.74) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL20234062 0.83 RAB9A (0.62) NPC1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL20214827 0.81 NPC1 (0.63) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL20213821 0.80 RAB9A (0.62) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL13675635 0.80 RAB9A (1.00) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL13675889 0.79 RAB9A (0.70) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL13675887 0.79 RAB9A (0.70) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL14529229 0.79 RAB9A (0.60) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL20214183 0.76 MAPT (0.89) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL20213834 0.76 TRPV1 (0.62) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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 NPC1 2982/4885RAB9A 1356/4885MEN1 3504/4885

“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.