SCHEMBL6419409

SCHEMBL6419409

CCOC(=O)CCCCOc1ccc2c(c1)CCCN2C1CC(C)N(C(=O)c2ccc(C)c(C)c2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.41
NPSR1 Q6W5P4 3/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
BRD4 O60885 1/20 0.35
AVPR2 P30518 1/20 0.35
FFAR1 O14842 1/20 0.34
PDK2 Q15119 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL6420215 0.92 PTGDR2 (0.44) PTGDR2NPSR1MAPTLMNAMEN1
SCHEMBL6420169 0.91 MCL1 (0.42) PTGDR2NPSR1MAPTLMNAMEN1
SCHEMBL6420239 0.91 PTGDR2 (0.44) PTGDR2NPSR1MAPTLMNAMEN1
SCHEMBL6420023 0.89 PTGDR2 (0.39) PTGDR2NPSR1MAPTLMNAMEN1
SCHEMBL6422394 0.89 MEN1 (0.44) NPSR1MAPTLMNAMEN1KMT2A
SCHEMBL6420553 0.82 MCL1 (0.45) PTGDR2MAPTLMNAMEN1KMT2A
SCHEMBL6419314 0.82 PTGDR2 (0.48) PTGDR2MAPTSMN1; SMN2TSHR
SCHEMBL6420251 0.80 MEN1 (0.46) PTGDR2MAPTLMNAMEN1KMT2A
SCHEMBL6420269 0.80 PTGDR2 (0.43) PTGDR2NPSR1MAPTLMNAMEN1
SCHEMBL6420257 0.78 MEN1 (0.42) NPSR1MAPTLMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6930104-B2 Heterocyclic derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-16 US disclosed
US-20040157850-A1 Novel heterocyclic derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-12 US disclosed
EP-1382598-A1 NOVEL HETEROCYCLIC DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2004-01-21 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-20040157850-A1 Novel heterocyclic derivatives APP, BACE1, PSEN1 PTGDR2 1670/4885NPSR1 99/4885MAPT 186/4885

“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.