SCHEMBL6178580

SCHEMBL6178580

Clc1ccc([C@@H]2CCCN2)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
SLC6A4 P31645 7/20 0.51
SLC6A3 Q01959 7/20 0.51
SLC6A2 P23975 6/20 0.51
CYP2D6 P10635 6/20 0.51
KCNH2 Q12809 4/20 0.51
CHRNB2 P17787 2/20 0.46
CHRNA7 P36544 2/20 0.46
CHRNA4 P43681 2/20 0.46
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA2 P54646 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
MEN1 O00255 2/20 0.41
CYP2C19 P33261 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL1713225 1.00 L3MBTL1 (0.53) L3MBTL1SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL30139646 1.00 L3MBTL1 (0.53) L3MBTL1SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL22910976 0.95 SLC6A2 (0.58) L3MBTL1SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL2708321 0.95 SLC6A2 (0.58) L3MBTL1SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL7812648 0.86 SLC6A2 (0.51) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2
SCHEMBL167407 0.84 L3MBTL1 (0.49) L3MBTL1SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL166889 0.84 L3MBTL1 (0.49) L3MBTL1SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL17529583 0.84 L3MBTL1 (0.49) L3MBTL1CHRNB2CHRNA7CHRNA4PRKAB2
SCHEMBL6177583 0.84 L3MBTL1 (0.49) L3MBTL1SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL6181684 0.84 L3MBTL1 (0.49) L3MBTL1SLC6A4SLC6A3SLC6A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11583538-B2 Substituted pyrrolo[1,2-a]pyrazines and pyrrolo[1,2-a][1,4]diazepines as TREX1 inhibitors Venenum Biodesign, LLC (US) 2023-02-21 US disclosed
US-20210015829-A1 CYCLIC TREX1 INHIBITORS Venenum Biodesign, LLC (US) 2021-01-21 US disclosed
EP-1165510-B1 1-ARENESULFONYL-2-ARYL-PYRROLIDINE AND PIPERIDINE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS HOFFMANN LA ROCHE (CH) 2005-09-28 EP disclosed
US-6284785-B1 HAVING ACTIVITY AS LIGANDS OF METABOTROPIC GLUTAMATE RECEPTORS HOFFMANN- LA ROCHE INC. 2001-09-04 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 (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-11583538-B2 Substituted pyrrolo[1,2-a]pyrazines and pyrrolo[1,2-a][1,4]diazepines as TREX1 inhibitors TMX1, P2RX1, TCOF1 L3MBTL1 3293/4885SLC6A4 282/4885SLC6A3 405/4885
US-20210015829-A1 CYCLIC TREX1 INHIBITORS TMX1, TSNAX, TPX2 L3MBTL1 1933/4885SLC6A4 285/4885SLC6A3 448/4885

“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.