SCHEMBL3015463

SCHEMBL3015463

c1ccc(CC2CNCCN2c2nccs2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 12/20 0.61
▸ SLC6A3 Q01959 12/20 0.61
▸ SLC6A2 P23975 11/20 0.61
▸ CYP2D6 P10635 1/20 0.49
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA4 P22748 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ MITF O75030 1/20 0.41
▸ HTR2A P28223 2/20 0.40
▸ HTR2C P28335 2/20 0.40
▸ HTR2B P41595 2/20 0.40

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
SCHEMBL3013753 0.80 ROCK2 (0.47) —
SCHEMBL3015928 0.78 SLC6A2 (0.49) SLC6A4SLC6A3SLC6A2CYP2D6CA1
SCHEMBL3016545 0.78 SLC6A2 (0.46) SLC6A4SLC6A3SLC6A2CYP2D6HTR2A
SCHEMBL7827207 0.78 SLC6A4 (0.66) SLC6A4SLC6A3SLC6A2CYP2D6CA1
SCHEMBL2951055 0.77 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2CYP2D6CA1
SCHEMBL14255967 0.76 SLC6A4 (0.63) SLC6A4SLC6A3SLC6A2CYP2D6CA1
SCHEMBL11199899 0.75 L3MBTL1 (0.37) SLC6A4SLC6A3SLC6A2HTR2AHTR2C
SCHEMBL778752 0.75 CHRNA7 (0.59) —
SCHEMBL2941780 0.74 SLC6A4 (0.66) SLC6A4SLC6A3SLC6A2CYP2D6MITF
Hydrochloric Acid SCHEMBL3939474 0.74 CHRNA7 (0.60) —

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
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-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 SLC6A4 731/4885SLC6A3 111/4885SLC6A2 162/4885

“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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