SCHEMBL4819395

SCHEMBL4819395

Nc1ccc2nc(COc3ccccc3)cc(N)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 2/20 0.49
▸ CYSLTR2 Q9NS75 1/20 0.49
▸ KCNH2 Q12809 1/20 0.47
▸ MAPT P10636 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ MAOB P27338 2/20 0.43
▸ OPRL1 P41146 4/20 0.43
▸ GRM5 P41594 2/20 0.43
▸ GAA P10253 2/20 0.42
▸ MAOA P21397 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ FFAR1 O14842 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40

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
SCHEMBL4264863 0.72 MCHR1 (0.56) —
SCHEMBL5358262 0.72 ALDH1A1 (0.42) ALDH1A1CASP1CASP7HSD17B10
SCHEMBL28585633 0.71 CYSLTR1 (0.57) CYSLTR1CYSLTR2KCNH2RAB9AL3MBTL1
SCHEMBL5348766 0.70 ACHE (0.38) MAPTALDH1A1CASP1CASP7HSD17B10
SCHEMBL4818208 0.69 MCHR1 (0.48) KCNH2
SCHEMBL28506572 0.69 DHFR (0.54) CYSLTR1MAPTSMN1; SMN2MAOBGAA
SCHEMBL4824379 0.68 ACHE (0.71) MAPTSMN1; SMN2RAB9ANPC1GAA
SCHEMBL28476846 0.68 PLAU (0.52) KCNH2MAPTSMN1; SMN2MAOAALDH1A1
SCHEMBL10898825 0.68 NPC1 (0.56) CYSLTR1CYSLTR2KCNH2MAPTSMN1; SMN2
SCHEMBL1694951 0.68 CYSLTR1 (0.76) CYSLTR1CYSLTR2FFAR1GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348340-B2 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2008-03-25 — — US disclosed
US-20070129363-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2007-06-07 — — US disclosed
US-7189714-B2 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2007-03-13 — — 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-20070129363-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN CACNA1B, CACNA1E, CACNA1G CYSLTR1 229/4885CYSLTR2 238/4885KCNH2 74/4885

“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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