SCHEMBL22210207

SCHEMBL22210207

N#C[C@H]1[C@@H]2Cc3ccccc3[C@H]12

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 10/20 0.52
KDM1B Q8NB78 3/20 0.41
CYP11B2 P19099 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
SLC9A3 P48764 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
SCHEMBL483392 0.77 KDM1A (0.65) KDM1AKDM1BCYP11B2GRIN2DGRIN3B
SCHEMBL1722308 0.71 GRIN2D (0.41) KDM1AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7431326 0.71 GRIN2D (0.41) KDM1AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28611238 0.69 KDM1A (0.96) KDM1AKDM1BCYP11B2
SCHEMBL29370901 0.65 KDM1A (0.52) KDM1AKDM1BCYP11B2GRIN2DGRIN3B
SCHEMBL28386740 0.65 KDM1A (0.52) KDM1AKDM1BCYP11B2
SCHEMBL7972799 0.65 KDM1A (0.52) KDM1AKDM1BCYP11B2GRIN2DGRIN3B
SCHEMBL2971882 0.65 GRIN2D (0.36) KDM1AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL413013 0.65 KDM1A (0.52) KDM1AKDM1BCYP11B2GRIN2DGRIN3B
SCHEMBL27798092 0.65 GRIN2D (0.36) KDM1AGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10711004-B2 Oxadiazole transient receptor potential channel inhibitors GENENTECH, INC. (US) 2020-07-14 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-10711004-B2 Oxadiazole transient receptor potential channel inhibitors TRPA1, TRPV1, TRPV3 KDM1A 3316/4885KDM1B 3420/4885CYP11B2 1182/4885

“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.