SCHEMBL3013753

SCHEMBL3013753

c1ccc(CC2CCCCN2c2nccs2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.47
▸ ROCK1 Q13464 2/20 0.47
▸ CDC42BPB Q9Y5S2 2/20 0.47
▸ GBA1 P04062 1/20 0.45
▸ ATM Q13315 6/20 0.42
▸ PIK3C3 Q8NEB9 4/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ATR Q13535 1/20 0.41
▸ PRKDC P78527 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ DYRK1A Q13627 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ STAT3 P40763 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL3015463 0.80 SLC6A4 (0.61) —
SCHEMBL3526817 0.79 HPGD (0.39) L3MBTL1HSD17B10MAPT
SCHEMBL3013577 0.77 OPRK1 (0.52) OPRD1OPRK1HTT
SCHEMBL3004757 0.77 L3MBTL1 (0.55) L3MBTL1HSD17B10MAPT
SCHEMBL9031375 0.75 ADORA2A (0.54) L3MBTL1HSD17B10MAPT
SCHEMBL3528891 0.75 ADORA2A (0.40) L3MBTL1HSD17B10MAPT
SCHEMBL9031368 0.75 ADORA2A (0.54) L3MBTL1HSD17B10MAPT
SCHEMBL19540314 0.71 HPGD (0.50) L3MBTL1NPC1MAPTHTTSMN1; SMN2
SCHEMBL23603398 0.69 GBA1 (0.41) ROCK2ROCK1CDC42BPBGBA1ATM
SCHEMBL12988090 0.68 ROCK2 (0.49) ROCK2ROCK1CDC42BPBGBA1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722681-B2 N-sulfonyl thiazolylpiperazine derivatives and related N-sulfonyl heterocyclic derivatives for the treatment of neuro degenerative diseases NV REMYND (BE) 2014-05-13 — — US disclosed
US-8722681-B2 N-sulfonyl thiazolylpiperazine derivatives and related N-sulfonyl heterocyclic derivatives for the treatment of neuro degenerative diseases NV REMYND (BE) 2014-05-13 — — US disclosed
US-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2010-08-05 — — US disclosed
US-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2010-08-05 — — US disclosed
EP-2188272-A2 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV Remynd (BE) 2010-05-26 — — EP disclosed
WO-2009019295-A3 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-10-08 — — WO disclosed
WO-2009019295-A2 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-12 — — 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 (1 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-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES SMN1; SMN2, HTT, SNCA ROCK2 2301/4885ROCK1 2409/4885CDC42BPB 1632/4885

“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.

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