SCHEMBL15533646

SCHEMBL15533646

CCCOc1cccnc1N1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.50
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.46
HTR1A P08908 1/20 0.46
HTR2C P28335 2/20 0.44
PLD1 Q13393 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL15533598 0.88 EPHX2 (0.52) EPHX2SLC6A2SLC6A4HTR1AHTR2C
SCHEMBL31652008 0.87 EPHX2 (0.49) EPHX2SLC6A2HTR1AHTR2C
SCHEMBL4317786 0.83 MAPT (0.49) EPHX2SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL31651997 0.82 EPHX2 (0.56) EPHX2SLC6A2SLC6A4HTR1AHTR2C
SCHEMBL1026306 0.82 CYP2C19 (0.57) EPHX2SLC6A2HTR1AALDH1A1
Hydrochloric Acid SCHEMBL1969103 0.81 LMNA (0.58) EPHX2SLC6A2HTR1AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL30069211 0.81 LMNA (0.58) EPHX2SLC6A2HTR1AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL26600676 0.81 LMNA (0.58) EPHX2SLC6A2HTR1AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL30069213 0.81 LMNA (0.58) EPHX2SLC6A2HTR1AKDM4EALDH1A1
SCHEMBL3882059 0.79 EPHX2 (0.49) EPHX2SLC6A2SLC6A4SLC6A3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2847193-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2019-08-07 EP disclosed
US-20190031685-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2019-01-31 US disclosed
US-9951088-B2 D2 receptor modulators and methods of use thereof in the treatment of diseases and disorders SUNOVION PHARMACEUTICALS INC. (US) 2018-04-24 US disclosed
EP-2847193-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2015-03-18 EP disclosed
US-20150072974-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2015-03-12 US disclosed
WO-2013169964-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2013-11-14 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 (2 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-20150072974-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, SNCA, KYNU EPHX2 1951/4885SLC6A2 294/4885SLC6A4 378/4885
US-20190031685-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, SNCA, KYNU EPHX2 1951/4885SLC6A2 294/4885SLC6A4 378/4885

“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.