SCHEMBL1022370

SCHEMBL1022370

Cc1ccccc1Cc1nsc(N(C)CCN)n1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.38
HTR6 P50406 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LTA4H P09960 1/20 0.36
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
PRKCI P41743 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL1019764 0.87 AOC3 (0.40) TAAR1HTR6HTR2CHTR2BALDH1A1
SCHEMBL1019350 0.86 PIK3CD (0.36) HTR6CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1021223 0.84 TAAR1 (0.42) TAAR1HTR6LTA4HALDH1A1
SCHEMBL1022394 0.82 CARM1 (0.41) TAAR1HTR6CYP1A2CYP3A4CYP2D6
SCHEMBL1021875 0.78 HTR6 (0.35) TAAR1HTR6CYP1A2LTA4HHTR2C
SCHEMBL1020890 0.77 TAAR1 (0.41) TAAR1HTR6CYP2D6CYP2C9CYP2C19
SCHEMBL1019453 0.76 MPO (0.37) PRKCI
SCHEMBL1018452 0.76 LMNA (0.41) ALDH1A1HPGDNPSR1
SCHEMBL1021400 0.75 AOC3 (0.36) TAAR1HTR6CYP1A2CYP2C9CYP2C19
SCHEMBL1020728 0.75 AOC3 (0.36) TAAR1HTR6CYP2D6HTR2CHTR2B

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 3 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

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 2621/4885HTR6 2082/4885CYP1A2 3341/4885

“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.