SCHEMBL1020730

SCHEMBL1020730

CC(C)NCCN(c1nc(Cc2ccccc2F)ns1)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
TAAR1 Q96RJ0 2/20 0.33
HTR6 P50406 1/20 0.33
LMNA P02545 3/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR4 P22455 1/20 0.31
FGFR3 P22607 1/20 0.31
KDR P35968 1/20 0.31
GAA P10253 1/20 0.31
POLB P06746 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
SCHEMBL1019885 0.88 ADRA2C (0.33) HTR6
SCHEMBL1021077 0.86 L3MBTL1 (0.35) ALDH1A1HTR6HTTPOLB
SCHEMBL1021387 0.84 CCR4 (0.32) NPC1RAB9A
SCHEMBL1021250 0.82 TAAR1 (0.31) TAAR1HTR6
SCHEMBL1022017 0.81 L3MBTL1 (0.37) ALDH1A1TAAR1HTR6LMNANPC1
SCHEMBL1021031 0.78 CNR1 (0.36)
SCHEMBL1021239 0.77 TRPV4 (0.36) ALDH1A1TAAR1HTR6NPC1
SCHEMBL1019479 0.77 HTR6 (0.34) ALDH1A1TAAR1HTR6LMNANPSR1
SCHEMBL1019364 0.76 NOS2 (0.37) ALDH1A1TAAR1HTR6LMNAHTT
SCHEMBL1019398 0.75 TAAR1 (0.43) ALDH1A1TAAR1HTR6LMNANPC1

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 ALDH1A1 608/4885TAAR1 2621/4885HTR6 2082/4885

“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.