SCHEMBL2006496

SCHEMBL2006496

NCCN1CCN(c2nc(Cc3ccccc3F)ns2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.47
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 1/20 0.40
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 2/20 0.37
SIGMAR1 Q99720 1/20 0.36
CYP2D6 P10635 1/20 0.36
FAAH O00519 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
GRM2 Q14416 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL2009386 0.87 HTR6 (0.47) HTR6NPSR1ALDH1A1KMT2AMEN1
SCHEMBL2007342 0.84 HTR6 (0.50) HTR6ALDH1A1KMT2AKDM4ESIGMAR1
SCHEMBL2002360 0.84 SIGMAR1 (0.48) HTR6ALDH1A1KMT2AMEN1SIGMAR1
SCHEMBL2006334 0.81 HTR6 (0.44) HTR6KDM4ESIGMAR1
SCHEMBL2006686 0.81 HTR2B (0.46) HTR6NPSR1POLBALDH1A1KDM4E
SCHEMBL2005298 0.80 HTR6 (0.48) HTR6ALDH1A1KMT2AMEN1SIGMAR1
SCHEMBL2011983 0.77 HTR2B (0.43) HTR6ALDH1A1KDM4ERAB9A
SCHEMBL2011056 0.77 ALDH1A1 (0.42) HTR6ALDH1A1SIGMAR1
SCHEMBL2007843 0.77 CNR1 (0.47) HTR6NPSR1ALDH1A1SIGMAR1FAAH
SCHEMBL2007020 0.77 HTR6 (0.44) HTR6ALDH1A1KMT2AMEN1SIGMAR1

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 2 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

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 2082/4885NPSR1 4230/4885POLB 2907/4885

“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.