SCHEMBL22004995

SCHEMBL22004995

Cn1ccc2ncc(C3CCCNC3)cc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 2/20 0.41
▸ DRD2 P14416 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ HPGDS O60760 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37

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
SCHEMBL22005019 0.77 CHEK1 (0.42) CHRM1HRH1CHRNB2CHRNA4
SCHEMBL22004877 0.75 CHEK1 (0.41) CHRM1HRH1
SCHEMBL22004714 0.71 PRMT5 (0.42) DRD2DRD3HPGDSCYP2D6SLC6A2
SCHEMBL22005006 0.71 RPLP1 (0.39) CDK9KCNH2
SCHEMBL22005063 0.69 HTR2A (0.40) —
SCHEMBL17884663 0.69 ADAMTS5 (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL18291382 0.68 CYP2D6 (0.44) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL20037854 0.68 CYP2D6 (0.44) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL11223267 0.68 HTR6 (0.47) DRD2DRD3
SCHEMBL29850569 0.67 CHRM1 (0.40) CHRM1HRH1HPGDS

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-20200157092-A1 [1,2,4]-TRIAZOLO [1,5-A]-PYRIMIDINYL DERIVATIVES SUBSTITUTED WITH PIPERIDINE, MORPHOLINE OR PIPERAZINE AS OGA INHIBITORS Janssen Pharmaceutlca NV (BE) 2020-05-21 — — 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 (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-20200157092-A1 [1,2,4]-TRIAZOLO [1,5-A]-PYRIMIDINYL DERIVATIVES SUBSTITUTED WITH PIPERIDINE, MORPHOLINE OR PIPERAZINE AS OGA INHIBITORS OGA, PSEN1, PSEN2 CDK9 2015/4885DRD2 3935/4885DRD3 4494/4885

“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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