SCHEMBL6414232

SCHEMBL6414232

CC(C)(C)OC(=O)N1CCN(c2cccc(OC(F)F)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.56
PDK2 Q15119 1/20 0.53
MAPT P10636 3/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
ABCB1 P08183 1/20 0.49
PDE4D Q08499 1/20 0.48
NAMPT P43490 1/20 0.47
KDM4E B2RXH2 1/20 0.47
RECQL P46063 1/20 0.47
TP53 P04637 1/20 0.47
RET P07949 1/20 0.47
FAAH O00519 2/20 0.46
ALK Q9UM73 2/20 0.46

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
SCHEMBL5686248 0.90 MAPT (0.53) GPR119PDK2MAPTALDH1A1LMNA
SCHEMBL7078017 0.87 MAPT (0.60) GPR119PDK2MAPTALDH1A1LMNA
SCHEMBL5683363 0.86 LMNA (0.50) GPR119PDK2MAPTALDH1A1LMNA
SCHEMBL29556504 0.86 ABCB1 (0.59) GPR119PDK2MAPTALDH1A1LMNA
SCHEMBL2385957 0.86 ABCB1 (0.59) GPR119PDK2MAPTALDH1A1LMNA
SCHEMBL31466327 0.84 RET (0.46) GPR119MAPTLMNAPDE4DKDM4E
Tert-Butanol SCHEMBL6417410 0.84 KDM4E (0.48) ALDH1A1LMNAKDM4ERECQLFAAH
SCHEMBL2386747 0.83 GPR119 (0.59) GPR119PDK2MAPTALDH1A1LMNA
SCHEMBL25317395 0.83 GPR119 (0.62) GPR119PDK2MAPTALDH1A1LMNA
SCHEMBL29475574 0.83 GPR119 (0.62) GPR119PDK2MAPTALDH1A1LMNA

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-20050130989-A1 N-arylheteroaromatic products compositions containing them and use thereof AVENTIS PHARMA S. A. (FR) 2005-06-16 US disclosed
US-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AVENTIS PHARMA S.A. (FR) 2005-01-20 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 (2 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-20050014765-A1 Aryl-heteroaromatic products, compositions comprising them and use AHR, ARNT, MYC GPR119 3382/4885PDK2 1230/4885MAPT 3583/4885
US-20050130989-A1 N-arylheteroaromatic products compositions containing them and use thereof AHR, NQO1, ARNT GPR119 2889/4885PDK2 1368/4885MAPT 4098/4885

“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.