SCHEMBL1019971

SCHEMBL1019971

CC(N)C(N)Cc1nc(Cc2ccccc2)ns1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.40
TAAR1 Q96RJ0 4/20 0.39
SLC6A2 P23975 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
MAOA P21397 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP2A6 P11509 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR6 P50406 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SLC18A2 Q05940 1/20 0.33
EPHX1 P07099 1/20 0.33
XIAP P98170 1/20 0.33
NR1H2 P55055 1/20 0.33

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
SCHEMBL1020820 0.86 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3ADORA2AADORA1
SCHEMBL1020748 0.86 HTR6 (0.36) HTR6ALDH1A1
SCHEMBL1021524 0.85 HTR6 (0.40) TAAR1SLC6A2MAOASLC6A4SLC6A3
SCHEMBL1021009 0.84 HTR6 (0.41) TAAR1L3MBTL1HTR6ALDH1A1
SCHEMBL1020626 0.81 HTR6 (0.39) CYP2D6TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL1019970 0.71 TAAR1 (0.35) CYP2D6TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL7271632 0.71 ALDH1A1 (0.49) MEN1KMT2AALDH1A1NR1H2NR1H3
SCHEMBL1023581 0.70 SLC6A2 (0.38) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL5596806 0.70 CYP2D6 (0.68) CYP2D6TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL2358738 0.70 ALOX15 (0.53) CYP2D6ADORA2AADORA1HTR6HRH4

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-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
EP-2094677-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES REMYND NV (BE) 2011-01-12 EP disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 US disclosed
EP-2094677-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV Remynd (BE) 2009-09-02 EP disclosed
WO-2008061781-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2008-05-29 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-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES SNCA, PARK7, PRNP CYP2D6 4262/4885TAAR1 2621/4885SLC6A2 3588/4885

“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.