SCHEMBL4922200

SCHEMBL4922200

CCCCOc1ccc(-n2c(NCc3ccc(Cl)cc3)nc3cc(Cl)c(Cl)cc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 3/20 0.46
CACNA2D1 P54289 1/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PDE2A O00408 1/20 0.38
FAAH O00519 1/20 0.38
DRD2 P14416 1/20 0.38
TBXA2R P21731 1/20 0.38
APAF1 O14727 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL4929856 0.96 P2RX3 (0.46) P2RX3CACNA2D1NPC1RAB9ASMN1; SMN2
SCHEMBL4928348 0.92 NPC1 (0.41) P2RX3CACNA2D1NPC1RAB9ASMN1; SMN2
SCHEMBL4925131 0.92 NPC1 (0.52) P2RX3CACNA2D1NPC1RAB9ASMN1; SMN2
SCHEMBL4928512 0.91 SMN1; SMN2 (0.46) P2RX3CACNA2D1NPC1RAB9ASMN1; SMN2
SCHEMBL4930141 0.91 P2RX3 (0.46) P2RX3CACNA2D1NPC1RAB9ASMN1; SMN2
SCHEMBL4921970 0.90 NPC1 (0.40) P2RX3CACNA2D1NPC1RAB9ASMN1; SMN2
SCHEMBL4928788 0.88 NPC1 (0.41) P2RX3CACNA2D1NPC1RAB9ASMN1; SMN2
SCHEMBL4930067 0.87 SMN1; SMN2 (0.46) P2RX3CACNA2D1NPC1RAB9ASMN1; SMN2
SCHEMBL4930135 0.87 P2RX3 (0.46) P2RX3CACNA2D1NPC1RAB9ASMN1; SMN2
SCHEMBL4927617 0.86 NPC1 (0.40) P2RX3CACNA2D1NPC1RAB9ASMN1; SMN2

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-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 US disclosed
US-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 US disclosed
US-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 US disclosed
EP-1810677-A1 RECEPTOR FUNCTION REGULATING AGENT Takeda Pharmaceutical Company Limited (JP) 2007-07-25 EP disclosed
EP-1810677-A1 RECEPTOR FUNCTION REGULATING AGENT Takeda Pharmaceutical Company Limited (JP) 2007-07-25 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-20080021069-A1 Receptor Function Regulating Agent GPR119, INSR, GPR65 P2RX3 463/4885CACNA2D1 3298/4885NPC1 1300/4885

“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.