SCHEMBL2005298

SCHEMBL2005298

NCCN1CCN(c2nc(Cc3cccc(F)c3)ns2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.48
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.42
SLC6A3 Q01959 2/20 0.41
DRD2 P14416 2/20 0.40
SLC6A4 P31645 1/20 0.40
TAAR1 Q96RJ0 1/20 0.38
LMNA P02545 2/20 0.37
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
PRMT8 Q9NR22 1/20 0.37
FAAH O00519 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL2006176 0.86 HTR6 (0.49) HTR6ALDH1A1TAAR1FAAHSIGMAR1
SCHEMBL2006334 0.86 HTR6 (0.44) HTR6DRD2SLC6A4LMNADRD4
SCHEMBL2002360 0.86 SIGMAR1 (0.48) HTR6KMT2AMEN1ALDH1A1DRD2
SCHEMBL2011056 0.83 ALDH1A1 (0.42) HTR6ALDH1A1SLC6A3SLC6A4DRD4
SCHEMBL2008513 0.81 HTR2C (0.48) HTR6KMT2AMEN1DRD2SLC6A4
SCHEMBL2006496 0.80 HTR6 (0.47) HTR6KMT2AMEN1ALDH1A1CARM1
SCHEMBL2007843 0.79 CNR1 (0.47) HTR6ALDH1A1FAAHSIGMAR1
SCHEMBL2007020 0.79 HTR6 (0.44) HTR6KMT2AMEN1ALDH1A1DRD2
SCHEMBL2008099 0.77 HTR2B (0.45) HTR6KMT2AALDH1A1DRD2SMN1; SMN2
SCHEMBL2007339 0.76 HTR6 (0.48) HTR6KMT2AHSD17B10DRD2FAAH

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 4 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
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 HTR6 2082/4885KMT2A 3893/4885MEN1 4386/4885

“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.