SCHEMBL13675596

SCHEMBL13675596

CC(C)(C)c1ccc(/C(=C/C(=O)Nc2ccc3ncsc3c2)CCCn2ccnc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.47
NTRK2 Q16620 1/20 0.47
TRPV1 Q8NER1 4/20 0.44
KMT2A Q03164 7/20 0.43
MEN1 O00255 6/20 0.43
POLB P06746 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
DYRK3 O43781 1/20 0.41
CLK1 P49759 1/20 0.41
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41

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
SCHEMBL3998318 1.00 NTRK1 (0.47) NTRK1NTRK2TRPV1KMT2AMEN1
SCHEMBL3998321 1.00 NTRK1 (0.47) NTRK1NTRK2TRPV1KMT2AMEN1
SCHEMBL13675588 0.81 TRPV1 (0.69) TRPV1KMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL13675849 0.80 TRPV1 (0.46) TRPV1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL3998323 0.79 QPCT (0.51) KMT2AMEN1POLBSMN1; SMN2CYP1A2
SCHEMBL13675595 0.77 KMT2A (0.52) KMT2AMEN1POLBSMN1; SMN2CYP1A2
SCHEMBL13675593 0.73 KMT2A (0.50) KMT2AMEN1POLBSMN1; SMN2CYP1A2
SCHEMBL13675632 0.71 TRPV1 (0.61) NTRK1NTRK2TRPV1KMT2AMEN1
SCHEMBL10926670 0.71 TBXAS1 (0.62) KMT2AMEN1POLBSMN1; SMN2CYP1A2
SCHEMBL5803760 0.68 HSD11B1 (0.65) NTRK1NTRK2TRPV1KMT2AMEN1

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 NTRK1 96/4885NTRK2 271/4885TRPV1 1/4885

“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.