SCHEMBL2969068

SCHEMBL2969068

CN(C)CCc1ccc(C(F)(F)F)cc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.51
SLC6A2 P23975 2/20 0.51
SLC6A3 Q01959 2/20 0.51
HTR6 P50406 2/20 0.42
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
CFTR P13569 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
MAPT P10636 2/20 0.39
CYP2D6 P10635 2/20 0.39
HTR1D P28221 1/20 0.39
LMNA P02545 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL21416859 0.85 SLC6A2 (0.45) SLC6A4SLC6A2SLC6A3HTR6NOS3
SCHEMBL1265069 0.83 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3ALDH1A1KDM4E
SCHEMBL14367955 0.78 ALDH1A1 (0.52) SLC6A4SLC6A2SLC6A3ALDH1A1KDM4E
SCHEMBL8764873 0.78 L3MBTL1 (0.43) SLC6A4SLC6A2SLC6A3ALDH1A1KDM4E
SCHEMBL6479994 0.77 ALDH1A1 (0.47) SLC6A4SLC6A2SLC6A3ALDH1A1KDM4E
SCHEMBL11757551 0.77 TAAR1 (0.41) SLC6A4SLC6A2HTR6NOS1TAAR1
SCHEMBL13202273 0.76 TAAR1 (0.44) SLC6A4SLC6A2SLC6A3ALDH1A1KDM4E
SCHEMBL1263719 0.75 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11760185 0.75 TAAR1 (0.40) SLC6A4SLC6A2HTR6ALDH1A1KDM4E
SCHEMBL13675086 0.75 SLC6A2 (0.50) SLC6A4SLC6A2HTR6TAAR1HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
EP-1802586-B1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC (US) 2013-04-24 EP disclosed
EP-1802586-B1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC (US) 2013-04-24 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
US-7776869-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2010-08-17 US disclosed
US-7776869-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2010-08-17 US disclosed
US-7776869-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2010-08-17 US disclosed
US-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2010-06-24 US disclosed
US-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2010-06-24 US disclosed
US-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2010-06-24 US disclosed
US-7601725-B2 Thienopyrimidines useful as Aurora kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
EP-1751136-A2 NITROGENATED HETEROCYCLIC DERIVATIVES AS PROTEIN KINASE MODULATORS AND USE FOR THE TREATMENT OF ANGIOGENESIS AND CANCER AMGEN INC. (US) 2007-02-14 EP disclosed
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. 2006-09-28 US disclosed
WO-2005113494-A2 NITROGENATED HETEROCYCLIC DERIVATIVES AS PROTEIN KINASE MODULATORS AND USE FOR THE TREATMENT OF ANGIOGENESIS AND CANCER AMGEN INC. (US) 2005-12-01 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-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE IRAK3, IRAK1, MAP3K1 SLC6A4 4662/4885SLC6A2 4737/4885SLC6A3 4608/4885
US-20060217380-A1 Heteroaryl-substituted alkyne compounds and method of use IRAK3, IRAK1, MAP3K1 SLC6A4 4662/4885SLC6A2 4737/4885SLC6A3 4608/4885
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 SLC6A4 4478/4885SLC6A2 4536/4885SLC6A3 4505/4885

“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.