SCHEMBL4055188

SCHEMBL4055188

COc1ccccc1-c1nc2ccc(Br)cc2o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.55
C1R P00736 1/20 0.52
NPC1 O15118 5/20 0.51
RAB9A P51151 3/20 0.51
TP53 P04637 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HSD17B10 Q99714 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
MAPT P10636 3/20 0.49
ELANE P08246 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
PTGS2 P35354 1/20 0.49
CTSG P08311 3/20 0.47
KLK7 P49862 3/20 0.47
KLK14 Q9P0G3 3/20 0.47
KLK5 Q9Y337 3/20 0.47
PRSS1 P07477 1/20 0.47
TSHR P16473 3/20 0.47
HTT P42858 2/20 0.46

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
SCHEMBL31048586 0.84 GPR119 (0.54) GPR119C1RNPC1TP53HSD17B10
SCHEMBL13495717 0.82 C1R (0.64) GPR119C1RNPC1RAB9ATP53
SCHEMBL31048510 0.82 C1R (0.64) GPR119C1RNPC1RAB9ATP53
SCHEMBL5790698 0.82 C1R (0.72) C1RNPC1TP53HSD17B10MAPT
SCHEMBL4051519 0.79 HDAC6 (0.58) GPR119C1RNPC1RAB9ATP53
SCHEMBL2583099 0.78 SMN1; SMN2 (0.50) GPR119C1RNPC1RAB9ATP53
SCHEMBL4058321 0.78 GPR119 (0.56) GPR119C1RNPC1RAB9ATP53
SCHEMBL4055603 0.78 KDM4E (0.53) NPC1RAB9ATP53SMN1; SMN2HSD17B10
SCHEMBL4051615 0.78 NPC1 (0.68) GPR119NPC1RAB9ATP53SMN1; SMN2
SCHEMBL4057792 0.77 PIK3R1 (0.59) GPR119C1RNPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20050101647-A1 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 US disclosed
EP-1460067-A1 BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 EP 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-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B GPR119 1677/4885C1R 697/4885NPC1 4740/4885

“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.