SCHEMBL4880417

SCHEMBL4880417

OC1CN(c2ncccc2Br)C1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.39
MALT1 Q9UDY8 2/20 0.37
TRPV1 Q8NER1 2/20 0.36
KMT2A Q03164 1/20 0.35
PIM1 P11309 2/20 0.34
GRM1 Q13255 1/20 0.34

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
SCHEMBL2008677 0.83 MALT1 (0.46) PDE10AMALT1TRPV1KMT2APIM1
SCHEMBL4880724 0.80 KDM4E (0.44) MALT1TRPV1KMT2A
SCHEMBL4778176 0.79 MALT1 (0.34) MALT1TRPV1
SCHEMBL31716179 0.79 HSD11B1 (0.44) PDE10AMALT1TRPV1KMT2A
SCHEMBL18484126 0.79 HSD11B1 (0.44) PDE10AMALT1TRPV1KMT2A
SCHEMBL18484125 0.79 PDE10A (0.39) PDE10AKMT2AGRM1
SCHEMBL14207437 0.79 GRIN2D (0.50) PDE10AMALT1KMT2AGRM1
SCHEMBL4880388 0.78 ALDH1A1 (0.44) PDE10AMALT1GRM1
SCHEMBL18487148 0.76 PDK2 (0.39) PDE10AKMT2AGRM1
SCHEMBL27684344 0.76 MALT1 (0.48) MALT1TRPV1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2017-01-05 US disclosed
US-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2017-01-05 US disclosed
US-20080153850-A1 Adamantyl Derivates as P2x7 Receptor Antagonists ASTRAZENECA AB (SE) 2008-06-26 US disclosed
EP-1786786-A1 ADAMANTYL DERIVATES AS P2X7 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2007-05-23 EP disclosed
WO-2006025783-A1 ADAMANTYL DERIVATES AS P2X7 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2006-03-09 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 (2 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-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS TRPM8, TRPM7, TRPM5 PDE10A 1884/4885MALT1 1975/4885TRPV1 7/4885
US-20080153850-A1 Adamantyl Derivates as P2x7 Receptor Antagonists ADORA1, P2RX1, P2RY1 PDE10A 1119/4885MALT1 3949/4885TRPV1 30/4885

“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.