SCHEMBL12005014

SCHEMBL12005014

CC(C)(C)OC(=O)N1CCC2(C1)CN(c1ccc([N+](=O)[O-])cc1)C2

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.69
ALDH1A1 P00352 5/20 0.69
LMNA P02545 2/20 0.69
SMN1; SMN2 Q16637 1/20 0.48
CYP11B2 P19099 1/20 0.47
USP2 O75604 2/20 0.44
CYP3A4 P08684 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP2C19 P33261 1/20 0.44
CYP1A2 P05177 1/20 0.44
HTT P42858 1/20 0.43
TP53 P04637 1/20 0.43
SCD5 Q86SK9 1/20 0.43
HDAC2 Q92769 1/20 0.43
GPR119 Q8TDV5 2/20 0.42
SIRT6 Q8N6T7 1/20 0.42
AKR1C3 P42330 1/20 0.42

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
SCHEMBL4295931 0.94 MAPT (0.67) MAPTALDH1A1LMNASMN1; SMN2CYP11B2
SCHEMBL4295926 0.94 MAPT (0.67) MAPTALDH1A1LMNASMN1; SMN2CYP11B2
SCHEMBL12006692 0.94 ALDH1A1 (0.74) MAPTALDH1A1LMNASMN1; SMN2USP2
SCHEMBL22471187 0.93 MAPT (0.69) MAPTALDH1A1LMNASMN1; SMN2CYP11B2
SCHEMBL30984960 0.93 MAPT (0.72) MAPTALDH1A1LMNASMN1; SMN2CYP11B2
SCHEMBL12005382 0.91 MAPT (0.71) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL12005104 0.90 MAPT (0.74) MAPTALDH1A1LMNASMN1; SMN2CYP11B2
SCHEMBL10035910 0.88 MAPT (0.80) MAPTALDH1A1LMNASMN1; SMN2CYP3A4
SCHEMBL28925340 0.88 MAPT (0.68) MAPTALDH1A1LMNASMN1; SMN2CYP11B2
SCHEMBL30985129 0.86 MAPT (0.62) MAPTALDH1A1LMNASMN1; SMN2CYP11B2

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
EP-2681221-B1 TRICYCLIC INHIBITORS OF KINASES ABBVIE INC (US) 2016-05-18 EP disclosed
US-8710065-B2 Tricyclic inhibitors of kinases ABBVIE INC. (US) 2014-04-29 US disclosed
EP-2681221-A1 TRICYCLIC INHIBITORS OF KINASES AbbVie Inc. (US) 2014-01-08 EP disclosed
WO-2012161812-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-11-29 WO disclosed
US-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-08-30 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-20120220572-A1 TRICYCLIC INHIBITORS OF KINASES WEE1, WEE2, CDK1 MAPT 2484/4885ALDH1A1 2764/4885LMNA 3229/4885

“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.