SCHEMBL22801995

SCHEMBL22801995

CN[C@H]1C[C@H](n2cc(C#N)c3ccc(N4CCN(c5ccc(O)cc5)CC4)nc32)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ AHR P35869 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HSD11B1 P28845 3/20 0.33
▸ PKM P14618 1/20 0.32
▸ FGFR1 P11362 2/20 0.31
▸ FLT3 P36888 2/20 0.31
▸ FGFR2 P21802 1/20 0.31
▸ AXL P30530 1/20 0.31

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
SCHEMBL22801994 1.00 MAPT (0.34) MAPTKDM4EALDH1A1MEN1GAA
SCHEMBL21268734 0.89 MAPT (0.39) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL21281509 0.89 MAPT (0.39) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL21268737 0.89 MAPT (0.39) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL21274072 0.87 ALDH1A1 (0.37) KDM4EALDH1A1SMN1; SMN2FGFR1FLT3
SCHEMBL21274070 0.87 ALDH1A1 (0.37) KDM4EALDH1A1SMN1; SMN2FGFR1FLT3
SCHEMBL21274333 0.87 GPR119 (0.44) HSD11B1
SCHEMBL21274490 0.87 HSD11B1 (0.31) HSD11B1
SCHEMBL21274492 0.87 HSD11B1 (0.31) HSD11B1
SCHEMBL21274493 0.87 HSD11B1 (0.31) HSD11B1

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-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 — — US disclosed
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 — — 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-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives STING1, IRF3, NFATC1 MAPT 2459/4885KDM4E 1908/4885ALDH1A1 4838/4885

“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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