SCHEMBL4921791

SCHEMBL4921791

CCCCOc1ccc(-n2c(Cl)nc3ccc(Cl)cc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 10/20 0.49
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 1/20 0.43
CACNA2D1 P54289 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PDGFRB P09619 1/20 0.41
DHODH Q02127 1/20 0.41
PDE10A Q9Y233 1/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP19A1 P11511 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP3A4 P08684 2/20 0.40

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
SCHEMBL4927269 0.95 CACNA2D1 (0.48) PDE2ASMN1; SMN2TP53MAPTCACNA2D1
SCHEMBL4931972 0.90 PDE2A (0.49) PDE2ASMN1; SMN2TP53MAPTNPC1
SCHEMBL4922183 0.90 CACNA2D1 (0.47) MAPTCACNA2D1NPC1
SCHEMBL4922249 0.86 CYP2D6 (0.41) PDE2ASMN1; SMN2CACNA2D1NPC1RAB9A
SCHEMBL4934313 0.85 CACNA2D1 (0.45) PDE2ASMN1; SMN2TP53MAPTCACNA2D1
SCHEMBL4931125 0.82 CYP19A1 (0.48) PDE2AMAPTNPC1RAB9APDE10A
SCHEMBL4933013 0.81 PDE2A (0.38) PDE2AMAPTRAB9ACYP19A1
SCHEMBL4928512 0.81 SMN1; SMN2 (0.46) PDE2ASMN1; SMN2TP53MAPTCACNA2D1
SCHEMBL4921507 0.81 NPC1 (0.46) PDE2ASMN1; SMN2MAPTNPC1RAB9A
SCHEMBL4924682 0.81 CACNA2D1 (0.46) PDE2ASMN1; SMN2MAPTCACNA2D1HSD17B10

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 PDE2A 995/4885SMN1; SMN2 4521/4885TP53 2793/4885

“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.