SCHEMBL6846439

SCHEMBL6846439

CC(C)(C)OC(=O)N1CCN(c2cccc(C(F)(F)F)c2NC(=O)c2cccc(I)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.43
SOS1 Q07889 1/20 0.41
RBP4 P02753 1/20 0.41
NAMPT P43490 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
MAPT P10636 1/20 0.40
PARP14 Q460N5 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK8 P45983 1/20 0.40
SCN9A Q15858 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPY2R P49146 2/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL6846441 0.86 TSHR (0.47) BACE1NAMPTMAPTPARP14TSHR
SCHEMBL6846605 0.85 TTR (0.43) BACE1RBP4NAMPTMAPT
SCHEMBL6844735 0.82 RBP4 (0.43) BACE1SOS1RBP4MAPT
SCHEMBL6846596 0.80 MAPT (0.42) BACE1RBP4MAPT
SCHEMBL6846512 0.80 PTPN11 (0.40) BACE1SOS1TRPV1TSHRCYP2C19
SCHEMBL6848352 0.80 ALDH1A1 (0.40) BACE1SOS1RBP4TRPV1MAPT
SCHEMBL6846894 0.78 ABL1 (0.43) TRPV1SCN9A
SCHEMBL6841380 0.78 TRPV1 (0.41) BACE1TRPV1
SCHEMBL6844794 0.77 MAP3K20 (0.39) BACE1TRPV1SCN9A
SCHEMBL25168339 0.76 GPR119 (0.46) BACE1SOS1MAPTNPY2R

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 BACE1 2355/4885SOS1 2587/4885RBP4 1766/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA BACE1 2355/4885SOS1 2587/4885RBP4 1766/4885

“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.