SCHEMBL3016545

SCHEMBL3016545

c1ccc(C2CNCCN2c2nccs2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.46
▸ SLC6A4 P31645 2/20 0.46
▸ SLC6A3 Q01959 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HDAC8 Q9BY41 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ PRKCQ Q04759 1/20 0.39
▸ HTR2A P28223 4/20 0.39
▸ HTR2C P28335 4/20 0.39
▸ HTR2B P41595 4/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ PPARG P37231 1/20 0.37
▸ NCOA2 Q15596 1/20 0.37
▸ NCOA1 Q15788 1/20 0.37
▸ MAPT P10636 3/20 0.37
▸ SLC6A7 Q99884 1/20 0.36

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
SCHEMBL7646652 0.79 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3CYP2D6HDAC8
SCHEMBL3015463 0.78 SLC6A4 (0.61) SLC6A2SLC6A4SLC6A3CYP2D6HTR2A
SCHEMBL11199899 0.78 L3MBTL1 (0.37) SLC6A2SLC6A4SLC6A3L3MBTL1HTR2A
SCHEMBL3004757 0.78 L3MBTL1 (0.55) CYP2D6L3MBTL1HSD17B10KDM4EALDH1A1
SCHEMBL3319561 0.76 PLD1 (0.51) SLC6A2SLC6A4SLC6A3CYP2D6HDAC8
Hydrochloric Acid SCHEMBL27752387 0.76 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3CYP2D6L3MBTL1
SCHEMBL25406327 0.76 GSK3B (0.39) L3MBTL1HTR2AHTR2CHTR2BCHRM2
SCHEMBL25406325 0.76 GSK3B (0.39) L3MBTL1HTR2AHTR2CHTR2BCHRM2
SCHEMBL164537 0.75 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3CYP2D6HDAC8
SCHEMBL13699524 0.75 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3CYP2D6HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188272-B1 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND NV (BE) 2016-02-24 — — EP 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
EP-2188272-A2 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV Remynd (BE) 2010-05-26 — — EP 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 SLC6A2 162/4885SLC6A4 731/4885SLC6A3 111/4885

“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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