SCHEMBL1019970

SCHEMBL1019970

CC(N)C(C)(N)c1nc(Cc2ccccc2)ns1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.35
SLC6A2 P23975 3/20 0.35
SIGMAR1 Q99720 2/20 0.35
MAOA P21397 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CYP2A6 P11509 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
HTR6 P50406 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
CYP2D6 P10635 2/20 0.33
SLC18A2 Q05940 1/20 0.33
XIAP P98170 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 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
SCHEMBL1019971 0.71 CYP2D6 (0.40) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL1023581 0.70 SLC6A2 (0.38) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL2358738 0.70 ALOX15 (0.53) ADORA2AADORA1HTR6HRH4CYP2D6
SCHEMBL1021419 0.66 RAB9A (0.45) CYP2D6MEN1KMT2AL3MBTL1CYP1A2
SCHEMBL1022394 0.63 CARM1 (0.41) TAAR1HTR6HRH4CYP2D6MEN1
SCHEMBL1751596 0.63 MAPK1 (0.46) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL1022844 0.62 ATM (0.41) TAAR1SIGMAR1MEN1KMT2AL3MBTL1
SCHEMBL7271632 0.62 ALDH1A1 (0.49) MEN1KMT2ATSHR
SCHEMBL1018388 0.62 ALDH1A1 (0.37) HTR6HRH4CYP2D6CYP1A2CYP3A4
SCHEMBL2614741 0.61 CALM1 (0.61) TAAR1ADORA2AADORA1HTR6HRH4

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 TAAR1 2621/4885SLC6A2 3588/4885SIGMAR1 1998/4885

“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.