SCHEMBL308038

SCHEMBL308038

COC(=O)c1cccc(CNCc2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.64
HIF1A Q16665 1/20 0.63
CYP4F2 P78329 2/20 0.62
CYP4A11 Q02928 2/20 0.62
SLC7A5 Q01650 1/20 0.58
SENP1 Q9P0U3 1/20 0.57
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
TSHR P16473 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
RAB9A P51151 2/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MRGPRX4 Q96LA9 2/20 0.51
HDAC1 Q13547 1/20 0.51
FOLH1 Q04609 1/20 0.51

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
SCHEMBL21579366 0.95 LOXL2 (0.70) LOXL2HIF1ACYP4F2CYP4A11SLC7A5
SCHEMBL4767651 0.88 HDAC1 (0.60) LOXL2CYP4F2CYP4A11CA1CA2
SCHEMBL21089603 0.88 HIF1A (0.61) LOXL2HIF1ACYP4F2CYP4A11SLC7A5
SCHEMBL11846611 0.88 CYP4F2 (0.64) LOXL2HIF1ACYP4F2CYP4A11SLC7A5
SCHEMBL14143797 0.87 LOXL2 (0.64) LOXL2HIF1ACYP4F2CYP4A11SLC7A5
Hydrochloric Acid SCHEMBL11854001 0.87 CYP4F2 (0.62) LOXL2HIF1ACYP4F2CYP4A11SLC7A5
SCHEMBL3746846 0.85 SMN1; SMN2 (0.73) LOXL2CYP4A11CA1CA2TSHR
SCHEMBL28206342 0.84 CYP4F2 (0.68) LOXL2HIF1ACYP4F2CYP4A11SLC7A5
SCHEMBL13501297 0.84 MMP13 (0.61) LOXL2HIF1ACYP4F2CYP4A11SLC7A5
SCHEMBL15761753 0.84 HIF1A (0.85) LOXL2HIF1ACYP4F2CYP4A11SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2861568-B1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIV OSLO (NO) 2019-04-17 EP disclosed
US-9951033-B2 Tertiary amines for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2018-04-24 US disclosed
US-9951033-B2 Tertiary amines for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2018-04-24 US disclosed
US-20170158657-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2017-06-08 US disclosed
US-20170158657-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2017-06-08 US disclosed
US-9556111-B2 Tertiary amines for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2017-01-31 US disclosed
US-9556111-B2 Tertiary amines for use in the treatment of cardiac disorders UNIVERSITETET I OSLO (NO) 2017-01-31 US disclosed
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2015-05-14 US disclosed
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS UNIVERSITETET I OSLO (NO) 2015-05-14 US disclosed
EP-2114869-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-07-23 EP disclosed
EP-2114869-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-07-23 EP disclosed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US disclosed
EP-2114869-A1 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP disclosed
WO-2008086047-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 WO disclosed
WO-2008086047-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 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 (3 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-20170158657-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 LOXL2 4119/4885HIF1A 2893/4885CYP4F2 2575/4885
US-20100041645-A1 RHO KINASE INHIBITORS CIT, ROCK1, RHOT2 LOXL2 2110/4885HIF1A 2666/4885CYP4F2 3088/4885
US-20150133510-A1 TERTIARY AMINES FOR USE IN THE TREATMENT OF CARDIAC DISORDERS TNNI3, TNNT2, MYLK2 LOXL2 4083/4885HIF1A 3211/4885CYP4F2 2106/4885

“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.