SCHEMBL13675879

SCHEMBL13675879

CC(C)(C)c1ccc(/C=C/C(=O)Nc2cccnc2Cl)cc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.73
RAB9A P51151 7/20 0.73
SMN1; SMN2 Q16637 4/20 0.69
LMNA P02545 2/20 0.69
TRPV1 Q8NER1 6/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
TNIK Q9UKE5 1/20 0.60
MAPT P10636 3/20 0.58
KDM4E B2RXH2 1/20 0.58
POLB P06746 1/20 0.58
HPGD P15428 1/20 0.58
MAPK1 P28482 1/20 0.58
RECQL P46063 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
HDAC1 Q13547 1/20 0.50
TP53 P04637 1/20 0.48
MAOB P27338 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
SCHEMBL14566085 0.85 NPC1 (0.69) NPC1RAB9ASMN1; SMN2LMNATRPV1
SCHEMBL13675886 0.83 TRPV1 (0.66) NPC1RAB9ASMN1; SMN2LMNATRPV1
SCHEMBL13675666 0.82 MEN1 (0.67) NPC1RAB9ASMN1; SMN2LMNATRPV1
SCHEMBL13675860 0.79 RAB9A (0.70) NPC1RAB9ASMN1; SMN2LMNATRPV1
SCHEMBL13675863 0.79 TRPV1 (0.61) NPC1RAB9ASMN1; SMN2LMNATRPV1
SCHEMBL13675883 0.79 NPC1 (0.74) NPC1RAB9ASMN1; SMN2LMNATRPV1
SCHEMBL13675779 0.78 MMP1 (0.74) NPC1RAB9ASMN1; SMN2LMNATRPV1
SCHEMBL13675634 0.78 MMP1 (0.72) NPC1RAB9ASMN1; SMN2LMNATRPV1
SCHEMBL13675644 0.77 TRPV1 (0.69) NPC1RAB9ASMN1; SMN2LMNATRPV1
SCHEMBL847085 0.77 TRPV1 (0.56) NPC1RAB9ASMN1; SMN2LMNATRPV1

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 7 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

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 1356/4885SMN1; SMN2 2515/4885

“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.