SCHEMBL12123765

SCHEMBL12123765

O=C(CCN1CCOCC1)c1ccc2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.69
MAPT P10636 5/20 0.69
KMT2A Q03164 4/20 0.69
CYP1A2 P05177 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2C19 P33261 1/20 0.67
HTR1A P08908 2/20 0.66
TP53 P04637 1/20 0.64
ALDH3A1 P30838 1/20 0.64
HTT P42858 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
POLB P06746 1/20 0.63
LMNA P02545 1/20 0.60
MPI P34949 1/20 0.60

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
SCHEMBL12123911 0.90 HTR1A (0.61) ALDH1A1MAPTKMT2ACYP1A2CYP2D6
SCHEMBL12123865 0.89 ALDH1A1 (0.65) ALDH1A1MAPTKMT2ACYP1A2CYP2D6
SCHEMBL12123867 0.88 ALDH1A1 (0.62) ALDH1A1MAPTKMT2ACYP1A2CYP2D6
SCHEMBL12123862 0.88 ALDH1A1 (0.62) ALDH1A1MAPTKMT2ACYP1A2CYP2D6
SCHEMBL14385180 0.88 ALDH1A1 (0.62) ALDH1A1MAPTKMT2ATP53ALDH3A1
SCHEMBL10257007 0.87 HTR1A (0.68) ALDH1A1KMT2AHTR1APOLB
SCHEMBL1332779 0.86 ALDH1A1 (0.68) ALDH1A1MAPTKMT2AHTR1AHTT
SCHEMBL12123652 0.84 HTR1A (0.69) ALDH1A1HTR1APOLB
SCHEMBL12123756 0.84 HTR1A (0.82) HTR1APOLBLMNA
SCHEMBL9512833 0.83 ALDH1A1 (0.84) ALDH1A1MAPTKMT2ATP53ALDH3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PHARMACYCLICS INC (US) 2015-10-15 US disclosed
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PHARMACYCLICS INC (US) 2015-10-15 US disclosed
EP-2865381-A1 ITK inhibitors for treating blood cell malignancies Pharmacyclics, Inc. (US) 2015-04-29 EP disclosed
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2014-03-20 US disclosed
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2014-03-20 US disclosed
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2011-11-17 US disclosed
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2011-11-17 US disclosed
US-20070293499-A1 Intracellular Kinase Inhibitors MANNKIND CORPORATION (US) 2007-12-20 US disclosed
US-20070293499-A1 Intracellular Kinase Inhibitors MANNKIND CORPORATION (US) 2007-12-20 US disclosed
WO-2007136790-A2 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2007-11-29 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 (4 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-20070293499-A1 Intracellular Kinase Inhibitors PI4KB, BTK, LTK ALDH1A1 4370/4885MAPT 3284/4885KMT2A 1458/4885
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK ALDH1A1 4370/4885MAPT 3284/4885KMT2A 1458/4885
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK ALDH1A1 4370/4885MAPT 3284/4885KMT2A 1458/4885
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK ALDH1A1 4370/4885MAPT 3284/4885KMT2A 1458/4885

“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.