SCHEMBL3440308

SCHEMBL3440308

CNCc1ccc(CNC(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
NCF1 P14598 2/20 0.48
PARP1 P09874 4/20 0.44
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
LTA4H P09960 1/20 0.41
ADRB2 P07550 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SLC2A1 P11166 1/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL13520305 0.94 LOXL2 (0.45) LOXL2KDM4ECYP3A4MAPTNCF1
SCHEMBL3271284 0.90 SIGMAR1 (0.48) PARP1SIGMAR1LTA4HSMN1; SMN2ALDH1A1
SCHEMBL13164692 0.83 ALDH1A1 (0.49) PARP1SIGMAR1LTA4HADRB2SMN1; SMN2
SCHEMBL20631430 0.83 SLC2A1 (0.51) KDM4ECYP3A4MAPTPARP1NOS1
SCHEMBL3440330 0.83 TAAR1 (0.44) LOXL2KDM4ECYP3A4MAPTNCF1
SCHEMBL2504209 0.82 KDM4E (0.68) LOXL2KDM4ECYP3A4MAPTNCF1
SCHEMBL8851013 0.81 SMN1; SMN2 (0.58) KDM4EMAPTPARP1SIGMAR1LTA4H
SCHEMBL8443205 0.81 LMNA (0.48) MAPTPARP1SIGMAR1LTA4HSMN1; SMN2
SCHEMBL24999530 0.79 SIGMAR1 (0.41) PARP1SIGMAR1LTA4HSMN1; SMN2ALDH1A1
SCHEMBL6644747 0.79 SIGMAR1 (0.41) KDM4ECYP3A4MAPTPARP1SIGMAR1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216515-A1 COMPOSITIONS AND METHODS FOR TARGETED DELIVERY TO CELLS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2024-07-04 US disclosed
EP-2188251-B1 ARYLSULFONAMIDES WITH ANALGESIC ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2015-04-29 EP disclosed
EP-2061779-B1 ARYL SULFONAMIDES WITH AN ANALGESIC ACTION BOEHRINGER INGELHEIM INT (DE) 2013-11-06 EP disclosed
EP-2284166-B1 Arylsulfonamides with analgetic activity BOEHRINGER INGELHEIM INT (DE) 2013-10-16 EP disclosed
US-8450306-B2 Bradykinin B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8450306-B2 Bradykinin B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-20130071411-A1 IAP BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC. (CA) 2013-03-21 US disclosed
US-8252785-B2 Aryl sulfonamides as bradykinin-B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-28 US disclosed
US-8252785-B2 Aryl sulfonamides as bradykinin-B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-28 US disclosed
EP-2402329-A1 Analgetic phenylsulphonamides Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
US-20110021488-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
US-20110021488-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
US-7858618-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-28 US disclosed
US-7858618-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-28 US disclosed
US-20090137545-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 US disclosed
US-20090137545-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 US disclosed
WO-2009021758-A1 ARYLSULFONAMIDES HAVING AN ANALGESIC EFFECT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
WO-2009021946-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
EP-2025675-A1 Arylsulfonamides with analgetic activity Boehringer Ingelheim International GmbH (DE) 2009-02-18 EP disclosed
WO-2008022945-A1 ARYL SULFONAMIDES WITH AN ANALGESIC ACTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 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-20090137545-A1 Compounds ADORA2B, ABCB11, CYP11B1 LOXL2 4632/4885KDM4E 3277/4885CYP3A4 65/4885
US-20110021488-A1 New Compounds ABCG2, ADORA2B, ADORA3 LOXL2 4609/4885KDM4E 3757/4885CYP3A4 56/4885
US-20130071411-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 LOXL2 4578/4885KDM4E 4603/4885CYP3A4 4823/4885
US-20240216515-A1 COMPOSITIONS AND METHODS FOR TARGETED DELIVERY TO CELLS PNLIP, LIPA, PHOSPHO1 LOXL2 168/4885KDM4E 4050/4885CYP3A4 4372/4885

“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.