SCHEMBL14631539

SCHEMBL14631539

CC(C)(C)[Si](O[C@H]1CC[C@@H](NC(=O)O)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ EPHX2 P34913 2/20 0.36
▸ FAAH O00519 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ RIPK1 Q13546 1/20 0.35
▸ SSTR4 P31391 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ LDHA P00338 1/20 0.35

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
SCHEMBL14631540 1.00 BACE1 (0.38) BACE1KDM1AMAOBALDH1A1GAA
SCHEMBL14840870 0.87 CACNB4 (0.40) BACE1KDM1AMAOBALDH1A1SMN1; SMN2
SCHEMBL14646990 0.87 KDM1A (0.53) KDM1AMAOBALDH1A1GAAKMT2A
SCHEMBL14840871 0.87 CACNB4 (0.40) BACE1KDM1AMAOBALDH1A1SMN1; SMN2
SCHEMBL14461324 0.84 BACE1 (0.43) BACE1MEN1KMT2ASMN1; SMN2
SCHEMBL10437825 0.84 ALDH1A1 (0.42) BACE1ALDH1A1GAAMEN1KMT2A
SCHEMBL18603624 0.84 ALDH1A1 (0.42) BACE1ALDH1A1GAAMEN1KMT2A
SCHEMBL10437826 0.84 ALDH1A1 (0.42) BACE1ALDH1A1GAAMEN1KMT2A
SCHEMBL31295036 0.83 BACE1 (0.39) BACE1KDM1AMAOBSMN1; SMN2
SCHEMBL1501373 0.82 BACE1 (0.40) BACE1ALDH1A1GAARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2548871-B1 CYCLOALKYL-SUBSTITUTED IMIDAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2017-07-19 — — EP disclosed
US-9340531-B2 Cycloalkyl-substituted imidazole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-05-17 — — US disclosed
US-20140178349-A1 Cycloalkyl-Substituted Imidazole Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-06-26 — — US disclosed
US-20130230501-A9 Cycloalkyl-Substituted Imidazole Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-05 — — US disclosed
US-20130022587-A1 Cycloalkyl-Substituted Imidazole Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-01-24 — — US disclosed
EP-2548871-A1 CYCLOALKYL-SUBSTITUTED IMIDAZOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-01-23 — — EP 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-20130022587-A1 Cycloalkyl-Substituted Imidazole Derivative F7, F12, TFPI BACE1 1964/4885KDM1A 2872/4885MAOB 586/4885
US-20130230501-A9 Cycloalkyl-Substituted Imidazole Derivative F7, F12, TFPI BACE1 1964/4885KDM1A 2872/4885MAOB 586/4885
US-20140178349-A1 Cycloalkyl-Substituted Imidazole Derivative F7, F12, TFPI BACE1 1964/4885KDM1A 2872/4885MAOB 586/4885

“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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