SCHEMBL4934313

SCHEMBL4934313

CCCOc1ccc(-n2c(Cl)nc3cc(Cl)ccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.45
PDE2A O00408 7/20 0.44
DHODH Q02127 1/20 0.43
FGFR1 P11362 1/20 0.41
MCHR1 Q99705 1/20 0.40
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
RAD51 Q06609 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL4931972 0.95 PDE2A (0.49) PDE2AFGFR1MCHR1SMN1; SMN2MAPT
SCHEMBL4927269 0.90 CACNA2D1 (0.48) CACNA2D1PDE2ADHODHFGFR1HTT
SCHEMBL4925569 0.90 MCHR1 (0.48) CACNA2D1MCHR1SMN1; SMN2MAPTTP53
SCHEMBL4924682 0.86 CACNA2D1 (0.46) CACNA2D1PDE2ADHODHFGFR1HTT
SCHEMBL4921791 0.85 PDE2A (0.49) CACNA2D1PDE2ADHODHSMN1; SMN2MAPT
SCHEMBL4929879 0.81 PDE2A (0.38) PDE2AMCHR1HTTSMN1; SMN2LMNA
SCHEMBL14280750 0.81 HTT (0.45) HTTSMN1; SMN2LMNANPSR1MAPT
SCHEMBL4930135 0.81 P2RX3 (0.46) CACNA2D1PDE2AHTTSMN1; SMN2LMNA
SCHEMBL4922249 0.81 CYP2D6 (0.41) CACNA2D1PDE2AFGFR1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL4930319 0.80 HTT (0.44) HTTSMN1; SMN2LMNANPSR1MAPT

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 CACNA2D1 3298/4885PDE2A 995/4885DHODH 2783/4885

“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.