SCHEMBL6845367

SCHEMBL6845367

CC(C)(C)OC(=O)N1CCN(c2cccc(C(F)(F)F)c2[N+](=O)[O-])CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
ENPP2 Q13822 4/20 0.48
KCNH2 Q12809 1/20 0.46
SLC6A9 P48067 1/20 0.44
MET P08581 2/20 0.43
AKR1C3 P42330 1/20 0.43
TRPV1 Q8NER1 2/20 0.42
PDK2 Q15119 1/20 0.42
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
RBP4 P02753 1/20 0.41
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
PBRM1 Q86U86 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
SCHEMBL3854881 0.86 MAPT (0.58) MAPTALDH1A1LMNAKCNH2MET
SCHEMBL5203786 0.86 ALDH1A1 (0.60) MAPTALDH1A1LMNAKCNH2MET
SCHEMBL1247295 0.85 MAPT (0.59) MAPTALDH1A1LMNAENPP2KCNH2
SCHEMBL4460142 0.85 MAPT (0.59) MAPTALDH1A1LMNAKCNH2MET
SCHEMBL4178856 0.84 MAPT (0.58) MAPTALDH1A1LMNAKCNH2MET
SCHEMBL29745194 0.84 MAPT (0.58) MAPTALDH1A1LMNAKCNH2MET
SCHEMBL31694435 0.83 AKR1C3 (0.60) AKR1C3TRPV1PDK2RBP4SMARCA2
SCHEMBL20818495 0.83 AKR1C3 (0.60) AKR1C3TRPV1PDK2RBP4SMARCA2
SCHEMBL26351952 0.83 ALDH1A1 (0.57) MAPTALDH1A1LMNAKCNH2MET
SCHEMBL21995949 0.82 MAPT (0.52) MAPTALDH1A1LMNAAKR1C3TRPV1

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 MAPT 899/4885ALDH1A1 3632/4885LMNA 4001/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA MAPT 899/4885ALDH1A1 3632/4885LMNA 4001/4885

“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.