SCHEMBL4017478

SCHEMBL4017478

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.47
SLC6A11 P48066 1/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SLC6A13 Q9NSD5 1/20 0.47
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
CYP2D6 P10635 1/20 0.41
SLC6A4 P31645 7/20 0.40
SLC6A2 P23975 6/20 0.40
KCNH2 Q12809 4/20 0.40
CPN1 P15169 2/20 0.38
CPB2 Q96IY4 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PAK4 O96013 1/20 0.36
SLC6A3 Q01959 2/20 0.35
RPLP1 P05386 1/20 0.34

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
SCHEMBL25222580 1.00 SLC6A1 (0.47) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL477375 1.00 SLC6A1 (0.47) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL4020094 0.98 SLC6A1 (0.46) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL4021040 0.98 SLC6A1 (0.46) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL4014841 0.98 SLC6A1 (0.46) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
Oxalic Acid SCHEMBL4020914 0.96 SLC6A1 (0.44) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL25270168 0.94 SLC6A1 (0.41) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL25224934 0.94 SLC6A1 (0.41) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL856746 0.88 SLC6A4 (0.48) SLC6A1SLC6A11SLC6A13CYP2D6SLC6A4
SCHEMBL1221396 0.88 SLC6A4 (0.48) SLC6A1SLC6A11SLC6A13CYP2D6SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208923-A1 SMALL MOLECULE INHIBITORS OF MAMMALIAN SLC6A19 FUNCTION JNANA THERAPEUTICS INC. 2024-06-27 US disclosed
EP-4304586-A1 SMALL MOLECULE INHIBITORS OF MAMMALIAN SLC6A19 FUNCTION Jnana Therapeutics Inc. (US) 2024-01-17 EP disclosed
EP-3807271-A1 PYRIDINYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-04-21 EP disclosed
WO-2019238629-A1 PYRIDINYL HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2019-12-19 WO disclosed
US-8283354-B2 Voltage gated sodium and calcium channel inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-09 US disclosed
US-20090312342-A1 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2009-12-17 US disclosed
EP-1784393-B1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2009-07-01 EP disclosed
EP-1784393-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2007-05-16 EP disclosed
WO-2006028904-A9 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2006-06-22 WO disclosed
WO-2006028904-A1 QUINAZOLINES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-03-16 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-20090312342-A1 Quinazolines useful as modulators of ion channels KCNQ1, KCNQ2, KCNN3 SLC6A1 174/4885SLC6A11 206/4885TSHR 3828/4885
US-20240208923-A1 SMALL MOLECULE INHIBITORS OF MAMMALIAN SLC6A19 FUNCTION SLC18A2, SLC6A19, SLC1A1 SLC6A1 14/4885SLC6A11 38/4885TSHR 2258/4885

“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.