SCHEMBL1668307

SCHEMBL1668307

CC(C)c1ccc(CN2CC(Oc3ccc(N4CCN(S(C)(=O)=O)CC4=O)nc3)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.45
ETV6 P41212 1/20 0.45
PTPN1 P18031 1/20 0.41
ACACB O00763 9/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
PDE9A O76083 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
PARP1 P09874 1/20 0.35
BCHE P06276 1/20 0.34
MAOB P27338 1/20 0.34
PDE1B Q01064 1/20 0.33

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
SCHEMBL15368990 0.90 KDR (0.41) KDRETV6PTPN1GPR119PARP1
SCHEMBL1668657 0.88 KDR (0.39) KDRETV6PTPN1ACACBMEN1
SCHEMBL1668348 0.87 KDM4E (0.45) KDRETV6ACACBMEN1KMT2A
SCHEMBL1668252 0.87 GPR119 (0.49) KDRETV6PTPN1ACACBMEN1
SCHEMBL1668287 0.78 GPR119 (0.46) KDRETV6KMT2AGPR119
SCHEMBL1668557 0.78 PRKAA2 (0.40) GPR119PARP1
SCHEMBL1668628 0.77 LIPE (0.39) KDRETV6GPR119PDE9APDE1B
SCHEMBL1670864 0.76 GPR119 (0.46) MEN1KMT2AGPR119HRH3PDE1B
SCHEMBL1668753 0.76 GPR119 (0.46) KDRETV6MEN1KMT2AGPR119
SCHEMBL1668471 0.76 EED (0.48) PTPN1ACACBMEN1KMT2AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575168-B2 Compounds and compositions as modulators of GPR119 activity IRM LLC (BM) 2013-11-05 US claimed
EP-2486033-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2012-08-15 EP claimed
US-20110245220-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-10-06 US claimed
WO-2011044001-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-04-14 WO claimed
US-8575168-B2 Compounds and compositions as modulators of GPR119 activity IRM LLC (BM) 2013-11-05 US disclosed
US-8575168-B2 Compounds and compositions as modulators of GPR119 activity IRM LLC (BM) 2013-11-05 US disclosed
US-8575168-B2 Compounds and compositions as modulators of GPR119 activity IRM LLC (BM) 2013-11-05 US disclosed
EP-2486033-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2012-08-15 EP disclosed
US-20110245220-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-10-06 US disclosed
US-20110245220-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-10-06 US disclosed
US-20110245220-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-10-06 US disclosed
WO-2011044001-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-04-14 WO disclosed
WO-2011044001-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-04-14 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 (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-20110245220-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 KDR 962/4885ETV6 4172/4885PTPN1 2976/4885

“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.