SCHEMBL4922249

SCHEMBL4922249

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.41
CYP2C9 P11712 5/20 0.41
CYP1A2 P05177 4/20 0.41
CYP19A1 P11511 4/20 0.41
CYP2C19 P33261 4/20 0.41
CYP3A4 P08684 4/20 0.41
PDE2A O00408 6/20 0.40
CACNA2D1 P54289 1/20 0.40
DCTPP1 Q9H773 1/20 0.40
FGFR1 P11362 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
METAP2 P50579 1/20 0.39

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
SCHEMBL4924682 0.95 CACNA2D1 (0.46) CYP2D6CYP2C9CYP1A2CYP19A1CYP2C19
SCHEMBL4931085 0.89 CACNA2D1 (0.43) CACNA2D1DCTPP1NPC1RAB9ASMN1; SMN2
SCHEMBL4931972 0.86 PDE2A (0.49) CYP2D6CYP2C9CYP1A2CYP19A1CYP2C19
SCHEMBL4921791 0.86 PDE2A (0.49) CYP2D6CYP2C9CYP1A2CYP19A1CYP2C19
SCHEMBL4933492 0.82 DCTPP1 (0.53) CYP2C9CYP1A2CYP19A1DCTPP1NPC1
SCHEMBL4927330 0.81 DCTPP1 (0.36) CYP2C9CYP2C19DCTPP1
SCHEMBL4934313 0.81 CACNA2D1 (0.45) PDE2ACACNA2D1FGFR1SMN1; SMN2LMNA
SCHEMBL4927269 0.81 CACNA2D1 (0.48) PDE2ACACNA2D1FGFR1SMN1; SMN2LMNA
SCHEMBL4922200 0.79 P2RX3 (0.46) PDE2ACACNA2D1NPC1RAB9ASMN1; SMN2
SCHEMBL4928348 0.77 NPC1 (0.41) CYP2D6CYP2C9CYP1A2CYP2C19CYP3A4

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 CYP2D6 2364/4885CYP2C9 2966/4885CYP1A2 1472/4885

“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.