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SCHEMBL8907649

SCHEMBL8907649

CN(C)C(=O)N[C@@H](C(=O)C(C)(C)C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.45
▸ MAPT P10636 3/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HSP90AA1 P07900 1/20 0.44
▸ GPR55 Q9Y2T6 1/20 0.44
▸ MTOR P42345 1/20 0.43
▸ GAA P10253 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ ACLY P53396 1/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ CHRNA4 P43681 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
SCHEMBL634437 0.83 FPR2 (0.47) ALDH1A1MAPTMAPK1MTOR
SCHEMBL304497 0.83 FPR2 (0.47) ALDH1A1MAPTMAPK1MTOR
SCHEMBL6536240 0.81 MAPT (0.44) ALDH1A1MAPTHSP90AA1GPR55SMN1; SMN2
SCHEMBL10120386 0.81 MAPT (0.44) ALDH1A1MAPTHSP90AA1GPR55SMN1; SMN2
SCHEMBL890232 0.81 TACR3 (0.44) ALDH1A1MAPTMAPK1MTORGAA
SCHEMBL16509205 0.81 TACR3 (0.44) ALDH1A1MAPTMAPK1MTORGAA
SCHEMBL305716 0.80 CTSS (0.47) ALDH1A1MAPTMAPK1MTORPOLB
SCHEMBL305715 0.80 CTSS (0.47) ALDH1A1MAPTMAPK1MTORPOLB
SCHEMBL8909273 0.79 CYP2D6 (0.49) ALDH1A1MAPTHSP90AA1GPR55CTSS
SCHEMBL8906619 0.79 CYP2D6 (0.49) ALDH1A1MAPTHSP90AA1GPR55CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752611-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 — — US disclosed
US-8637561-B2 Linked diimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-01-28 — — US disclosed
US-8637561-B2 Linked diimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-01-28 — — US disclosed
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 — — US disclosed
US-8188132-B2 Linked dibenzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2012-05-29 — — US disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 — — US disclosed
US-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-09 — — US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 — — US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 — — 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 (3 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-20100226883-A1 LINKED DIIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 ALDH1A1 229/4885MAPT 4186/4885MAPK1 3739/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 ALDH1A1 287/4885MAPT 4073/4885MAPK1 3988/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L ALDH1A1 132/4885MAPT 4391/4885MAPK1 3747/4885

“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.