SCHEMBL1332779

SCHEMBL1332779

O=C(CCN1CCCCC1)c1ccc2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
KMT2A Q03164 4/20 0.68
HTR1A P08908 3/20 0.67
GFER P55789 1/20 0.66
POLB P06746 2/20 0.62
HPGD P15428 1/20 0.59
MAOB P27338 1/20 0.59
EGFR P00533 1/20 0.59
MEN1 O00255 1/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
HTT P42858 1/20 0.58

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
SCHEMBL10257007 0.98 HTR1A (0.68) ALDH1A1KMT2AHTR1AGFERPOLB
SCHEMBL13089321 0.90 KDM4E (0.66) ALDH1A1KMT2AHTR1A
SCHEMBL14384788 0.90 HTR1A (0.65) ALDH1A1KMT2AHTR1AGFERPOLB
SCHEMBL12123664 0.88 HTR1A (0.64) ALDH1A1KMT2AHTR1AGFERPOLB
SCHEMBL12123652 0.87 HTR1A (0.69) ALDH1A1HTR1APOLBHPGD
SCHEMBL12123921 0.86 HTR1A (0.64) ALDH1A1KMT2AHTR1AGFERPOLB
SCHEMBL12123907 0.86 HTR1A (0.64) ALDH1A1KMT2AHTR1AGFERPOLB
SCHEMBL12123765 0.86 ALDH1A1 (0.69) ALDH1A1KMT2AHTR1APOLBLMNA
SCHEMBL12123920 0.86 HTR1A (0.55) ALDH1A1KMT2AHTR1AGFERPOLB
SCHEMBL12123759 0.85 HTR1A (0.60) ALDH1A1KMT2AHTR1APOLB

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 15 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
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
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-20140080833-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2014-03-20 US disclosed
US-8604031-B2 Intracellular kinase inhibitors MANNKIND CORPORATION (US) 2013-12-10 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-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
US-20070293499-A1 Intracellular Kinase Inhibitors MANNKIND CORPORATION (US) 2007-12-20 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 (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 4370/4885KMT2A 1458/4885HTR1A 4740/4885
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK ALDH1A1 4370/4885KMT2A 1458/4885HTR1A 4740/4885
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK ALDH1A1 4370/4885KMT2A 1458/4885HTR1A 4740/4885
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK ALDH1A1 4370/4885KMT2A 1458/4885HTR1A 4740/4885

“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.