SCHEMBL1556593

SCHEMBL1556593

O=C(O)N1CCC(c2cc(COc3ccc(-n4cnnn4)cc3F)ccn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.43
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNH2 Q12809 1/20 0.36
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL11309424 0.89 GPR119 (0.55) GPR119
SCHEMBL1557531 0.84 GPR119 (0.48) GPR119ALDH1A1HPGDUSP2MAPK1
SCHEMBL1556639 0.84 GPR119 (0.48) GPR119ALDH1A1HPGDUSP2MAPK1
SCHEMBL14142053 0.83 GPR119 (0.45) GPR119ALDH1A1HPGDUSP2MAPK1
SCHEMBL1578058 0.81 GPR119 (0.47) GPR119ALDH1A1HPGDUSP2MAPK1
SCHEMBL1577809 0.79 GPR119 (0.43) GPR119ALDH1A1HPGDUSP2MAPK1
SCHEMBL15511518 0.74 GPR119 (0.42) GPR119ALDH1A1USP2MAPK1MAPT
SCHEMBL15511515 0.74 GPR119 (0.42) GPR119ALDH1A1USP2MAPK1MAPT
SCHEMBL1055890 0.74 ALDH1A1 (0.49) GPR119ALDH1A1KMT2AMAPT
SCHEMBL1557229 0.73 GPR119 (0.60) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120184572-A1 ARYL GPR119 AGONISTS AND USES THEREOF METABOLEX, INC. 2012-07-19 US disclosed
US-20110294836-A1 ARYL GPR119 AGONISTS AND USES THEREOF METABOLEX, INC. (US) 2011-12-01 US disclosed
EP-2303859-A2 ARYL GPR119 AGONISTS AND USES THEREOF Metabolex Inc. (US) 2011-04-06 EP disclosed
WO-2010008739-A2 ARYL GPR119 AGONISTS AND USES THEREOF METABOLEX, INC. (US) 2010-01-21 WO 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-20120184572-A1 ARYL GPR119 AGONISTS AND USES THEREOF GPR119, GPR27, GPR65 GPR119 1/4885ALDH1A1 1676/4885HPGD 2511/4885
US-20110294836-A1 ARYL GPR119 AGONISTS AND USES THEREOF GPR119, GPR27, GPR65 GPR119 1/4885ALDH1A1 1676/4885HPGD 2511/4885

“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.