SCHEMBL3015928

SCHEMBL3015928

c1ccc(CC2CNCCN2Cc2nccs2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 6/20 0.49
▸ SLC6A4 P31645 6/20 0.49
▸ SLC6A3 Q01959 6/20 0.49
▸ MITF O75030 1/20 0.47
▸ OPRK1 P41145 1/20 0.46
▸ ALOX15 P16050 1/20 0.41
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA4 P22748 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 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
SCHEMBL3013577 0.81 OPRK1 (0.52) OPRK1
SCHEMBL27505917 0.80 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3MITFCA1
SCHEMBL1415727 0.80 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3MITFCA1
SCHEMBL6936570 0.80 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3MITFCA1
Pyridine SCHEMBL28173600 0.79 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3MITFCA1
SCHEMBL3015463 0.78 SLC6A4 (0.61) SLC6A2SLC6A4SLC6A3MITFCA1
SCHEMBL18640156 0.78 OPRK1 (0.49) OPRK1CYP2D6MAPT
SCHEMBL18127114 0.77 OPRK1 (0.42) SLC6A2SLC6A4SLC6A3OPRK1ALOX15
SCHEMBL28290468 0.76 ALOX15 (0.47) SLC6A2SLC6A4ALOX15CYP2D6KDM4E
SCHEMBL27784843 0.74 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3MITFCA1

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 2 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

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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