SCHEMBL1021862

SCHEMBL1021862

Cc1ccccc1Cc1nsc(NC(C)CCN)n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
LTA4H P09960 1/20 0.34
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL1019632 0.88 HTR6 (0.37) HTR6TAAR1HTR2CHTR2BALDH1A1
SCHEMBL1023775 0.86 HTR6 (0.34) HTR6TAAR1CYP1A2CYP3A4CYP2D6
SCHEMBL1019973 0.85 TAAR1 (0.40) HTR6TAAR1LTA4HALDH1A1
SCHEMBL1023487 0.82 TAAR1 (0.39) HTR6TAAR1CYP1A2CYP3A4CYP2D6
SCHEMBL1024185 0.81 HTR6 (0.34) HTR6TAAR1CYP1A2CYP3A4CYP2D6
SCHEMBL1018499 0.81 HTR6 (0.36) HTR6TAAR1CYP1A2CYP3A4CYP2D6
SCHEMBL1020112 0.80 CNR1 (0.35) HTR6TAAR1CYP1A2LTA4HALDH1A1
SCHEMBL1021316 0.79 ALDH1A1 (0.39) HTR6TAAR1CYP2D6LTA4HHTR2C
SCHEMBL1021863 0.78 HTR6 (0.36) HTR6CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1020408 0.78 MPO (0.35) ALDH1A1

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 HTR6 2082/4885TAAR1 2621/4885CYP1A2 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.