SCHEMBL3015461

SCHEMBL3015461

c1ccc(Cc2csc(N3CCNCC3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.50
AOC3 Q16853 1/20 0.50
HTR6 P50406 2/20 0.45
CETP P11597 1/20 0.44
ITGA2B P08514 1/20 0.43
HTR3A P46098 3/20 0.42
SIGMAR1 Q99720 2/20 0.41
AR P10275 2/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
ADRB1 P08588 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ACHE P22303 1/20 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
SCHEMBL11071906 0.92 AOC3 (0.49) TAAR1AOC3HTR6ARTP53
SCHEMBL11063733 0.90 AOC3 (0.47) TAAR1AOC3HTR6CETPITGA2B
SCHEMBL11070162 0.89 SCN4A (0.52) TAAR1AOC3HTR6CETPHTR3A
SCHEMBL11064918 0.87 AOC3 (0.64) TAAR1AOC3HTR3ASIGMAR1AR
SCHEMBL11265409 0.87 HTR6 (0.52) TAAR1AOC3HTR6
SCHEMBL11265384 0.87 AOC3 (0.45) TAAR1AOC3HTR6CETPITGA2B
SCHEMBL11064971 0.87 AOC3 (0.53) TAAR1AOC3HTR6ITGA2BSIGMAR1
SCHEMBL11071226 0.86 CETP (0.51) AOC3HTR6CETPHTR3ASIGMAR1
SCHEMBL11064399 0.86 AOC3 (0.51) AOC3HTR6CETPHTR3AAR
SCHEMBL11064121 0.86 AOC3 (0.51) AOC3HTR6CETPHTR3AAR

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
EP-0005091-B1 MONOSUBSTITUTED PIPERAZINES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCIENCE UNION ET Cie SOCIETE FRANCAISE DE RECHERCHE MEDICALE (FR) 1981-11-25 EP claimed
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
US-4479952-A 1-(4-benzyl-2-thiazolyl) piperazine; antiinflammatory; immunomodulator SCIENCE UNION ET CIE (FR) 1984-10-30 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 TAAR1 3812/4885AOC3 2304/4885HTR6 1988/4885

“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.