SCHEMBL4618878

SCHEMBL4618878

OC1CCc2cccc(Nc3cc(-c4ccc(C(F)(F)F)cc4NCC4CC4)ncn3)c21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.51
GPR39 O43194 1/20 0.39
LIPC P11150 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
FAAH O00519 2/20 0.37
CRHR1 P34998 3/20 0.36
CDC7 O00311 1/20 0.35
ROCK2 O75116 1/20 0.35
MAP4K4 O95819 1/20 0.35
PIM1 P11309 1/20 0.35
PRKACA P17612 1/20 0.35
CDK2 P24941 1/20 0.35
GSK3B P49841 1/20 0.35
HIPK2 Q9H2X6 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL5916853 0.96 TRPV1 (0.49) TRPV1GPR39LIPCLIPGCYP11B1
SCHEMBL5917026 0.86 TRPV1 (0.49) TRPV1GPR39LIPCLIPGCYP11B1
SCHEMBL5917081 0.84 TRPV1 (0.60) TRPV1GPR39LIPCLIPGCRHR1
SCHEMBL5916919 0.84 TRPV1 (0.60) TRPV1GPR39LIPCLIPGCRHR1
SCHEMBL5916942 0.84 TRPV1 (0.60) TRPV1GPR39LIPCLIPGCRHR1
SCHEMBL5916973 0.83 TRPV1 (0.48) TRPV1GPR39LIPCLIPGCYP11B1
SCHEMBL5917128 0.82 TRPV1 (0.72) TRPV1FAAH
SCHEMBL5917119 0.82 TRPV1 (0.47) TRPV1GPR39LIPCLIPGCYP11B1
SCHEMBL5917110 0.82 TRPV1 (0.51) TRPV1CYP11B1CYP11B2FAAH
SCHEMBL4643136 0.81 TRPV1 (0.59) TRPV1GPR39LIPCLIPGRXFP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1883632-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2008-02-06 EP disclosed
WO-2006116563-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2006-11-02 WO disclosed
US-20060241296-A1 Acute, inflammatory or neuropathic pain and inflammatory diseases such as asthma, rheumatoid arthritis, inflammatory bowel disorders, urinary incontinence, and psoriasis; e.g. 5-chloro-8-((6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)amino)-1,2,3,4-tetrahydronaphthalen-2-ol AMGEN INC. 2006-10-26 US 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-20060241296-A1 Acute, inflammatory or neuropathic pain and inflammatory diseases such as asthma, rheumatoid arthritis, inflammatory bowel disorders, urinary incontinence, and psoriasis; e.g. 5-chloro-8-((6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)amino)-1,2,3,4-tetrahydronaphthalen-2-ol TRPV1, HRH2, TRPA1 TRPV1 1/4885GPR39 213/4885LIPC 3707/4885

“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.