SCHEMBL3518699

SCHEMBL3518699

O=C(NCCO)[C@H]1CCCNC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.52
SLC6A11 P48066 1/20 0.52
TSHR P16473 1/20 0.52
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SLC6A13 Q9NSD5 1/20 0.52
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
CYP2D6 P10635 1/20 0.50
NOS2 P35228 1/20 0.42
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
NAAA Q02083 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 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
SCHEMBL1524136 1.00 SLC6A1 (0.52) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL10030564 0.91 SLC6A1 (0.57) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL2223343 0.90 SLC6A1 (0.49) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL16364960 0.89 GNAI3 (0.49) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL17377633 0.86 SLC6A1 (0.55) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL29542338 0.85 SLC6A1 (0.50) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL16528361 0.85 SLC6A1 (0.55) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL13285080 0.85 CHRNB2 (0.57) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
Tert-Butyl Formate SCHEMBL28039935 0.84 SLC6A1 (0.38) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
Tert-Butyl Formate SCHEMBL28039929 0.84 SLC6A1 (0.38) SLC6A1SLC6A11TSHRLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249155-B2 Thieno [2, 3-D] pyrimidine derivatives and their use to treat arrhythmia XENTION LIMITED (GB) 2016-02-02 US disclosed
US-9249155-B2 Thieno [2, 3-D] pyrimidine derivatives and their use to treat arrhythmia XENTION LIMITED (GB) 2016-02-02 US disclosed
US-20140206703-A1 THIENO [2, 3-D] PYRIMIDINE DERIVATIVES AND THEIR USE TO TREAT ARRHYTHMIA XENTION LIMITED (GB) 2014-07-24 US disclosed
US-20140206703-A1 THIENO [2, 3-D] PYRIMIDINE DERIVATIVES AND THEIR USE TO TREAT ARRHYTHMIA XENTION LIMITED (GB) 2014-07-24 US disclosed
EP-1919471-B1 (INDOL-3-YL)-HETEROCYCLE DERIVATIVES AS AGONISTS OF THE CANNABINOID CB1 RECEPTOR MERCK SHARP & DOHME (NL) 2014-01-08 EP disclosed
WO-2012131379-A1 THIENO [2, 3 -D] PYRIMIDINE DERIVATIVES AND THEIR USE TO TREAT ARRHYTHMIA XENTION LIMITED (GB) 2012-10-04 WO disclosed
US-7763732-B2 7-Chloro-3-({5-[N-(morpholin-1-ylcarboxamido)methyl]aminomethyl}-([1,2,4]-thiadiazol-3-yl))-1-(tetrahydropyran-4-yl)methyl-1H-indole, hydrochloride salt; treatment of pain N.V. ORGANON (NL) 2010-07-27 US disclosed
US-20090029984-A1 SYNERGISTIC COMBINATION FOR THE TREATMENT OF PAIN (CANNABINOID RECEPTOR AGONIST AND OPIOID RECEPTOR AGONIST) N.V. ORGANON (NL) 2009-01-29 US disclosed
US-20070082931-A1 Indole derivatives AKZO NOBLE N.V. (NL) 2007-04-12 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 (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-20070082931-A1 Indole derivatives IDO1, TPH1, IDO2 SLC6A1 439/4885SLC6A11 484/4885TSHR 2086/4885
US-20140206703-A1 THIENO [2, 3-D] PYRIMIDINE DERIVATIVES AND THEIR USE TO TREAT ARRHYTHMIA KCNJ2, KCNH2, KCNH1 SLC6A1 992/4885SLC6A11 944/4885TSHR 1769/4885
US-20090029984-A1 SYNERGISTIC COMBINATION FOR THE TREATMENT OF PAIN (CANNABINOID RECEPTOR AGONIST AND OPIOID RECEPTOR AGONIST) CNR1, OPRL1, CNR2 SLC6A1 473/4885SLC6A11 513/4885TSHR 637/4885

“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.