SCHEMBL3018505

SCHEMBL3018505

Cc1ccc(C2CNCCN2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 2/20 0.33
MAPK1 P28482 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
BMPR1B O00238 1/20 0.30
PDGFRB P09619 1/20 0.30
KDR P35968 1/20 0.30
ACVR1B P36896 1/20 0.30

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
SCHEMBL551761 0.79 HTR2A (0.36) ALDH1A1KMT2AMEN1MAPTROCK2
SCHEMBL16644683 0.79 ROCK2 (0.34) ROCK2ROCK1PARP1
SCHEMBL9590421 0.79 HTR2A (0.38) ROCK2ROCK1SLC6A2SLC6A4SLC6A3
SCHEMBL16644685 0.79 ROCK2 (0.34) ROCK2ROCK1PARP1
SCHEMBL168722 0.76 CHRM2 (0.46) KMT2AMEN1HSD17B10
SCHEMBL2999152 0.74 CYP3A4 (0.36) ALDH1A1KMT2AMEN1MAPTROCK2
SCHEMBL3017182 0.74 KDM4E (0.30) ALDH1A1KDM4EKMT2AMEN1THRB
SCHEMBL19995950 0.73 HTR3A (0.42) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL1639188 0.72 MAPT (0.43) MAPTBMPR1BPDGFRBKDRACVR1B
SCHEMBL9786119 0.72 MAPT (0.43) MAPTBMPR1BPDGFRBKDRACVR1B

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 11 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 claimed
US-5210193-A Bactericide AMERICAN CYANAMID COMPANY (US) 1993-05-11 US claimed
EP-3057963-B1 PIPERAZINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INT (DE) 2019-06-19 EP disclosed
US-9233953-B2 Derivatives of 4-(piperazinylcarbonyl)thiane-1, 1-dione which inhibit GlyT1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-12 US disclosed
WO-2015055698-A1 PIPERAZINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-23 WO disclosed
US-20150105397-A1 Piperazine derivatives and the use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-16 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-5210193-A Bactericide AMERICAN CYANAMID COMPANY (US) 1993-05-11 US disclosed
US-4940710-A 7-(substituted)piperazinyl-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids AMERICAN CYANAMID COMPANY (US) 1990-07-10 US disclosed
EP-0230053-A2 7-(Substituted)piperazinyl-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids AMERICAN CYANAMID COMPANY (US) 1987-07-29 EP 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 (2 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-20150105397-A1 Piperazine derivatives and the use thereof as medicament SLC6A7, SLC7A11, SLC7A1 ALDH1A1 479/4885KDM4E 4255/4885KMT2A 1963/4885
US-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES SMN1; SMN2, HTT, SNCA ALDH1A1 3510/4885KDM4E 4398/4885KMT2A 2680/4885

“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.