SCHEMBL5456536

SCHEMBL5456536

CCCOc1ccc(C=O)c(OCCN(C)C)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
KDM4E B2RXH2 5/20 0.40
ESR1 P03372 2/20 0.39
ALDH1A1 P00352 6/20 0.39
HTR7 P34969 3/20 0.38
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
HRH1 P35367 1/20 0.37
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
HTR1B P28222 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
THRA P10827 1/20 0.36

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
Hydrochloric Acid SCHEMBL5450232 0.99 ADRB2 (0.44) ADRB2ADRB1KDM4EESR1ALDH1A1
SCHEMBL5454088 0.93 CYP1A2 (0.43) ADRB2ADRB1KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL5456693 0.92 CYP1A2 (0.42) ADRB2ADRB1KDM4EALDH1A1MAPT
SCHEMBL5454243 0.90 ALDH1A1 (0.43) KDM4EALDH1A1MAPTPOLBGPR55
SCHEMBL11684336 0.84 GAA (0.46) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL5452274 0.83 EGFR (0.41) KDM4EALDH1A1MAPTPOLBHPGD
SCHEMBL5444761 0.83 ERN1 (0.40) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL5456528 0.82 ALDH1A1 (0.44) KDM4EALDH1A1MAPTPOLBGPR55
SCHEMBL5443168 0.82 HPGD (0.37) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL5445558 0.81 ERN1 (0.43) KDM4EALDH1A1MAPTHPGDSMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007506661-A 2007-03-22 JP claimed
US-20070037846-A1 Pyrazolidinedione derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-15 US claimed
EP-1638540-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2006-03-29 EP claimed
WO-2005000281-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS ACTELION PHARMACEUTICALS LTD. (CH) 2005-01-06 WO claimed
US-20070037846-A1 Pyrazolidinedione derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-15 US disclosed
EP-1638540-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2006-03-29 EP disclosed
WO-2005000281-A2 PYRAZOLIDINEDIONE DERIVATIVES AND THEIR USE AS PLATELET AGGREGATION INHIBITORS ACTELION PHARMACEUTICALS LTD. (CH) 2005-01-06 WO 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-20070037846-A1 Pyrazolidinedione derivatives P2RY1, P2RY4, P2RY2 ADRB2 291/4885ADRB1 223/4885KDM4E 3443/4885

“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.