SCHEMBL6841380

SCHEMBL6841380

CC(=O)Nc1ccc(CCc2cccc(C(=O)Nc3c(N4CCN(C(=O)OC(C)(C)C)CC4)cccc3C(F)(F)F)c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.41
WNT3A P56704 4/20 0.41
ACHE P22303 1/20 0.38
MET P08581 1/20 0.37
SCD O00767 1/20 0.37
SCD5 Q86SK9 1/20 0.37
ALK Q9UM73 2/20 0.36
WDR5 P61964 1/20 0.36
UCHL1 P09936 1/20 0.36
BACE1 P56817 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36

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
SCHEMBL6846512 0.90 PTPN11 (0.40) TRPV1ACHEMETSCDSCD5
SCHEMBL6841382 0.88 WNT3A (0.41) WNT3AACHEMETSCDSCD5
SCHEMBL6846894 0.85 ABL1 (0.43) TRPV1WNT3AALKWDR5UCHL1
SCHEMBL7228820 0.85 WNT3A (0.43) WNT3AACHESCDSCD5
SCHEMBL7228824 0.85 WNT3A (0.42) WNT3AACHESCDSCD5
SCHEMBL6844794 0.84 MAP3K20 (0.39) TRPV1ACHEMETSCDSCD5
SCHEMBL6848352 0.84 ALDH1A1 (0.40) TRPV1METSCDSCD5ALK
SCHEMBL6846439 0.78 BACE1 (0.43) TRPV1BACE1
SCHEMBL6846514 0.78 TSHR (0.42) ACHEMETSCDSCD5BACE1
SCHEMBL6846837 0.76 MAP3K20 (0.36) TRPV1MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BENDER STEVEN LEE (US) 2004-05-13 US disclosed
US-6635641-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS, INC. 2003-10-21 US disclosed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US disclosed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 WO 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 (2 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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA TRPV1 2172/4885WNT3A 4092/4885ACHE 2730/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA TRPV1 2172/4885WNT3A 4092/4885ACHE 2730/4885

“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.