SCHEMBL6312834

SCHEMBL6312834

CC(N)C(=O)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TSHR P16473 3/20 0.38
EPHX1 P07099 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RECQL P46063 1/20 0.38
MAPK1 P28482 1/20 0.36
GRM2 Q14416 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
DPP4 P27487 2/20 0.35
FAP Q12884 2/20 0.35
DPP7 Q9UHL4 2/20 0.35
PREP P48147 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 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
SCHEMBL30988890 1.00 CES2 (0.46) CES2CES1HDAC8HDAC6TSHR
SCHEMBL22507708 1.00 CES2 (0.46) CES2CES1HDAC8HDAC6TSHR
SCHEMBL21445109 1.00 CES2 (0.46) CES2CES1HDAC8HDAC6TSHR
SCHEMBL17599037 0.98 CES2 (0.42) CES2CES1HDAC8HDAC6TSHR
SCHEMBL16215480 0.93
SCHEMBL17599066 0.93
SCHEMBL17599069 0.87
SCHEMBL6651288 0.82 CES2 (0.42) CES2CES1HDAC8HDAC6TSHR
SCHEMBL6760294 0.82 CES2 (0.42) CES2CES1HDAC8HDAC6TSHR
SCHEMBL29779928 0.80 CES2 (0.41) CES2CES1HDAC8HDAC6TSHR

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
WO-2008148754-A2 MACROCYCLES AND THEIR USES NOVARTIS AG (CH) 2008-12-11 WO disclosed
US-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 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 (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-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments GLP1R, GIPR, GCGR CES2 2091/4885CES1 822/4885HDAC8 944/4885

“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.