SCHEMBL1668355

SCHEMBL1668355

CC(C)c1ccc(CN2CC(Oc3ccc(N4CCN(C(=O)OCc5ccccc5)CC4=O)nc3)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.43
HRH3 Q9Y5N1 1/20 0.41
BCHE P06276 4/20 0.40
MAOB P27338 1/20 0.40
GRIN2B Q13224 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FAAH O00519 1/20 0.40
BCL9 O00512 4/20 0.39
CTNNB1 P35222 4/20 0.39
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ACHE P22303 2/20 0.38
S1PR5 Q9H228 1/20 0.38

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
SCHEMBL12198287 0.82 GPR119 (0.44) MEN1KMT2A
SCHEMBL1668307 0.79 KDR (0.45) HRH3BCHEMAOBMEN1KMT2A
SCHEMBL1670848 0.79 PANK3 (0.47) IDH1HRH3BCHEMAOBGRIN2B
SCHEMBL4750456 0.76 HDAC1 (0.50) GRIN2BMEN1KMT2AMAPTCYP2C9
SCHEMBL4003518 0.74 HDAC1 (0.47) GRIN2BMEN1KMT2AMAPTCYP2C9
SCHEMBL17226277 0.74 HDAC1 (0.47) GRIN2BMEN1KMT2AMAPTCYP2C9
SCHEMBL1103976 0.73 GRIN2B (0.41) GRIN2BCYP2C9CYP2C19
SCHEMBL4807388 0.71 MAPT (0.47) MEN1KMT2ALMNAMAPTCYP2C19
SCHEMBL1103970 0.71 GPR119 (0.48) GRIN2BCYP2C9
SCHEMBL4743828 0.71 GRIN2B (0.49) GRIN2BMEN1KMT2AMAPTCYP2C9

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 IDH1 4692/4885HRH3 420/4885BCHE 3487/4885

“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.