SCHEMBL13675595

SCHEMBL13675595

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
POLB P06746 2/20 0.52
MEN1 O00255 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TBXAS1 P24557 10/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
TP53 P04637 1/20 0.46
MDM2 Q00987 1/20 0.46

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
SCHEMBL13675593 0.86 KMT2A (0.50) KMT2APOLBMEN1SMN1; SMN2CYP1A2
SCHEMBL10926670 0.83 TBXAS1 (0.62) KMT2APOLBMEN1SMN1; SMN2CYP1A2
SCHEMBL4002097 0.79 PDPK1 (0.45) KMT2AMEN1LMNAHTT
SCHEMBL4004376 0.79 PDPK1 (0.45) KMT2AMEN1LMNAHTT
SCHEMBL4004377 0.79 PDPK1 (0.45) KMT2AMEN1LMNAHTT
SCHEMBL13675588 0.78 TRPV1 (0.69) KMT2AMEN1SMN1; SMN2
SCHEMBL3998318 0.77 NTRK1 (0.47) KMT2APOLBMEN1SMN1; SMN2CYP1A2
SCHEMBL13675849 0.77 TRPV1 (0.46) KMT2APOLBMEN1SMN1; SMN2CYP1A2
SCHEMBL3998323 0.77 QPCT (0.51) KMT2APOLBMEN1SMN1; SMN2CYP1A2
SCHEMBL3998321 0.77 NTRK1 (0.47) KMT2APOLBMEN1SMN1; SMN2CYP1A2

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 KMT2A 3777/4885POLB 3171/4885MEN1 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.