SCHEMBL14864801

SCHEMBL14864801

CC[C@H](NC(=O)OC)C1CCOCC1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.33
IDO1 P14902 8/20 0.32
CCRL2 O00421 1/20 0.32
PIK3CD O00329 1/20 0.32
HTT P42858 1/20 0.32
NR1I2 O75469 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KCNH2 Q12809 1/20 0.31
CNR2 P34972 1/20 0.31
F11 P03951 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
AAK1 Q2M2I8 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
SCHEMBL13072326 0.88 IDO1 (0.38) IDO1CCRL2NR1I2CYP2C8CYP2C9
SCHEMBL15373221 0.88 IDO1 (0.38) IDO1CCRL2NR1I2CYP2C8CYP2C9
SCHEMBL3117394 0.84 AAK1 (0.44) ALDH1A1KMT2AAAK1
SCHEMBL20707013 0.84 EPHX1 (0.38) IDO1CCRL2
SCHEMBL17323219 0.84 CNR2 (0.34) SMN1; SMN2ALDH1A1PIK3CDCNR2
SCHEMBL9998907 0.80 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL9999019 0.79 THRB (0.40) SMN1; SMN2IDO1CCRL2NR1I2CYP2C8
SCHEMBL10150991 0.78 AAK1 (0.36) ALDH1A1PIK3CDAAK1
SCHEMBL8918660 0.78 AAK1 (0.36) ALDH1A1PIK3CDAAK1
SCHEMBL20643824 0.78 AAK1 (0.36) ALDH1A1PIK3CDAAK1

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-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 US disclosed
US-8673954-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2014-03-18 US disclosed
US-8420686-B2 Linked diimidazole antivirals ENANTA PHARMACEUTICALS, INC. (US) 2013-04-16 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-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 SMN1; SMN2 3741/4885ALDH1A1 201/4885IDO1 1125/4885

“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.