SCHEMBL1950704

SCHEMBL1950704

CCc1cnc(N2CCC(c3ccc(COc4ccc(-n5cnnn5)cc4)nc3)CC2)nc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.72
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 3/20 0.38
KMT2A Q03164 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
ALOX15 P16050 1/20 0.37
RXRA P19793 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
BLM P54132 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL1577705 0.93 GPR119 (0.62) GPR119MAPTTP53ALDH1A1HPGD
SCHEMBL1577956 0.91 GPR119 (0.60) GPR119MAPTTP53ALDH1A1HPGD
SCHEMBL1118366 0.83 GPR119 (0.71) GPR119MAPTTP53ALDH1A1POLB
Mbx-2982 SCHEMBL1118326 0.83 GPR119 (1.00) GPR119ALDH1A1KMT2AMEN1ALOX15
Mbx-2982 SCHEMBL1662567 0.83 GPR119 (0.98) GPR119ALDH1A1KMT2AMEN1ALOX15
SCHEMBL21397888 0.81 GPR119 (0.73) GPR119MAPTTP53ALDH1A1POLB
SCHEMBL1118200 0.80 GPR119 (0.91) GPR119MAPTRXRAGRIN1GRIN2B
SCHEMBL10179657 0.80 GPR119 (0.52) GPR119MAPTALDH1A1TDP1
SCHEMBL1577822 0.80 GPR119 (0.53) GPR119MAPTALDH1A1HPGDPOLB
SCHEMBL1577792 0.80 GPR119 (0.57) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140018537-A1 GPR119 AGONIST NIPPON CHEMIPHAR CO., LTD. (JP) 2014-01-16 US disclosed
US-8536176-B2 GPR119 agonist NIPPON CHEMIPHAR CO., LTD. (JP) 2013-09-17 US disclosed
US-20110137032-A1 GPR119 AGONIST NIPPON CHEMIPHAR CO., LTD. (JP) 2011-06-09 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-20140018537-A1 GPR119 AGONIST GPR119, GPR27, GPR52 GPR119 1/4885MAPT 4853/4885TP53 4370/4885
US-20110137032-A1 GPR119 AGONIST GPR119, GPR27, GPR52 GPR119 1/4885MAPT 4853/4885TP53 4370/4885

“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.