SCHEMBL13675867

SCHEMBL13675867

CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccccc2C(N)=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 1.00
SMN1; SMN2 Q16637 7/20 0.74
NPC1 O15118 6/20 0.74
RAB9A P51151 6/20 0.74
MEN1 O00255 5/20 0.74
KMT2A Q03164 5/20 0.74
KDM4E B2RXH2 4/20 0.74
LMNA P02545 3/20 0.74
POLB P06746 2/20 0.74
HPGD P15428 4/20 0.70
ALDH1A1 P00352 3/20 0.70
NPSR1 Q6W5P4 1/20 0.70
TRPV1 Q8NER1 3/20 0.66
TRPA1 O75762 5/20 0.60
TRPM8 Q7Z2W7 2/20 0.60
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C19 P33261 1/20 0.59
HDAC1 Q13547 1/20 0.57
CASP3 P42574 1/20 0.56

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
SCHEMBL8638075 0.85 SMN1; SMN2 (1.00) TNIKSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL8638078 0.85 SMN1; SMN2 (1.00) TNIKSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL8640127 0.85 SMN1; SMN2 (0.79) TNIKSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL8640120 0.85 SMN1; SMN2 (0.79) TNIKSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL8641811 0.83 SMN1; SMN2 (0.76) TNIKSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL8641819 0.83 SMN1; SMN2 (0.76) TNIKSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL13675779 0.83 MMP1 (0.74) TNIKSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL13675634 0.83 MMP1 (0.72) TNIKSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL8638857 0.83 SMN1; SMN2 (1.00) TNIKSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL8638865 0.83 SMN1; SMN2 (1.00) TNIKSMN1; SMN2NPC1RAB9AMEN1

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 TNIK 2410/4885SMN1; SMN2 2515/4885NPC1 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.