SCHEMBL12005398

SCHEMBL12005398

Nc1ccc(N2CCN(CC3CCCCC3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
KDM4E B2RXH2 3/20 0.56
GAA P10253 3/20 0.56
GFER P55789 3/20 0.56
RAD52 P43351 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 3/20 0.53
HTT P42858 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
USP2 O75604 1/20 0.53
TP53 P04637 1/20 0.53
POLB P06746 1/20 0.53
THRB P10828 1/20 0.53
ALOX15 P16050 1/20 0.53
RECQL P46063 1/20 0.53
RAB9A P51151 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL5725238 0.92 MAPT (0.61) MAPTKDM4EGAAGFERRAD52
SCHEMBL12073558 0.87 L3MBTL1 (0.58) MAPTKDM4EGAAGFERRAD52
SCHEMBL1645720 0.86 MAPT (0.54) MAPTKDM4EGAAGFERRAD52
SCHEMBL13698431 0.84 DRD2 (0.49) MAPTGFERALDH1A1HTTADRA2C
SCHEMBL22848103 0.84 OPRM1 (0.58) MAPTKDM4EGAAGFERSMN1; SMN2
SCHEMBL22848104 0.83 DRD2 (0.58) KDM4EADRA2CCHRM5DRD2DRD3
SCHEMBL22542091 0.82 MAPT (0.51) MAPTKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL22848094 0.81 DRD2 (0.59) KDM4EDRD2DRD3
SCHEMBL23260162 0.81 KDM2B (0.49) MAPTKDM4EGAAGFERRAD52
SCHEMBL521039 0.81 MAPT (0.62) MAPTKDM4EGAAGFERRAD52

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 2484/4885KDM4E 482/4885GAA 1670/4885

“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.