SCHEMBL22905267

SCHEMBL22905267

CC(C)(C)Cc1ccnc(OCCC(C)(C)Cc2ncccn2)n1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 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
SCHEMBL18994401 0.74 HTT (0.35) NPC1HTTRAB9ASMN1; SMN2
SCHEMBL22905296 0.74 FFAR1 (0.36) RAB9A
SCHEMBL21324866 0.71 NUDT1 (0.34) NPC1HTTRAB9ASMN1; SMN2
SCHEMBL14211889 0.69 NUDT1 (0.33) —
SCHEMBL22905299 0.68 GRIN1 (0.30) —
SCHEMBL18994457 0.68 LOXL2 (0.37) ALOX5APFEN1
SCHEMBL18994365 0.68 NUDT1 (0.35) —
SCHEMBL10202978 0.68 MCHR1 (0.40) ALOX5APFEN1HTT
SCHEMBL1911599 0.67 HTT (0.38) NPC1HTTRAB9ASMN1; SMN2
SCHEMBL18994394 0.67 LNPEP (0.33) —

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-11530210-B2 Substituted heteroaromatic pyrazolo-pyridines and their use as GLUN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2022-12-20 — — US disclosed
US-20210017169-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-01-21 — — 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 (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-20210017169-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN2C ALOX5AP 1472/4885FEN1 4514/4885NPC1 3261/4885
US-11530210-B2 Substituted heteroaromatic pyrazolo-pyridines and their use as GLUN2B receptor modulators GRIN2B, GRIN2A, GRIN2C ALOX5AP 1472/4885FEN1 4514/4885NPC1 3261/4885

“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.

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