SCHEMBL2895679

SCHEMBL2895679

COC[C@@H](O)CN(C)c1ccncc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.39
CHKA P35790 1/20 0.39
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.35
HIF1A Q16665 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL19158147 0.83 MAPT (0.49) KDM4EALDH1A1MAPTHIF1APOLB
SCHEMBL8631317 0.80 POLB (0.46) POLBMEN1KMT2ASMN1; SMN2
SCHEMBL11422003 0.73 MAPT (0.44) ALDH1A1MAPTHIF1AADRB2ADRB1
SCHEMBL28761751 0.73 BRAF (0.48) CHRM5CHKAMAPTSMN1; SMN2
SCHEMBL21952689 0.72 CHRM5 (0.50) CHRM5CHKAALOX15MAPTMEN1
SCHEMBL12659395 0.71 POLB (0.40) KDM4EMAPTPKMHIF1APOLB
SCHEMBL7992507 0.69 CHRM5 (0.46) CHRM5CHKAALOX15MAPTMEN1
SCHEMBL27761483 0.69 CHRM5 (0.70) CHRM5CHKAKDM4EALDH1A1ALOX15
SCHEMBL12796824 0.68 MEN1 (0.41) KDM4EALDH1A1ALOX15MAPTPKM
SCHEMBL3687639 0.68 CHRM5 (0.41) CHRM5CHKAKDM4EMAPT

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-8440666-B2 Pyridazinone compounds and P2X7 receptor inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-14 US disclosed
US-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS NISSAN CHEMICAL INDUSTRIES LIMITED 2010-11-11 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-20100286390-A1 PYRIDAZINONE COMPOUNDS AND P2X7 RECEPTOR INHIBITORS P2RY1, P2RX7, P2RX1 CHRM5 890/4885CHKA 1662/4885KDM4E 3762/4885

“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.