SCHEMBL3924705

SCHEMBL3924705

CC(Cc1cccc(CC(=O)N2CCN(c3ccccn3)CC2)c1)NCC(O)c1cc(O)cc(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 16/20 0.52
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 3/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 1/20 0.50
NPSR1 Q6W5P4 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP3A4 P08684 2/20 0.45
MAPK1 P28482 2/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
HIF1A Q16665 1/20 0.45
ADRB1 P08588 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADRB3 P13945 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR2A P28223 1/20 0.45
SLC6A4 P31645 1/20 0.45

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
SCHEMBL13840821 1.00 ADRB2 (0.52) ADRB2KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL3917005 0.85 KDM4E (0.46) KDM4EHSD17B10HPGDSMN1; SMN2ALDH1A1
SCHEMBL13840684 0.85 KDM4E (0.46) KDM4EHSD17B10HPGDSMN1; SMN2ALDH1A1
SCHEMBL3915463 0.84 KDM4E (0.49) ADRB2KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL13840722 0.79 ADRB2 (0.55) ADRB2HSD17B10NPSR1CYP3A4MAPK1
SCHEMBL3915475 0.79 ADRB2 (0.55) ADRB2HSD17B10NPSR1CYP3A4MAPK1
SCHEMBL13846401 0.78 ADRB2 (0.50) ADRB2HSD17B10NPSR1CYP3A4MAPK1
SCHEMBL6507412 0.78 KDM4E (0.49) ADRB2KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL3912474 0.73 ADRB2 (0.74) ADRB2HSD17B10NPSR1CYP3A4MAPK1
SCHEMBL13840720 0.73 ADRB2 (0.74) ADRB2HSD17B10NPSR1CYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730141-B1 COMPOUNDS FOR THE TREATMENT OF DISEASES PFIZER LTD (GB) 2009-05-27 EP claimed
EP-1730141-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES Pfizer Limited (GB) 2006-12-13 EP claimed
WO-2005092887-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-10-06 WO claimed
EP-1730141-B1 COMPOUNDS FOR THE TREATMENT OF DISEASES PFIZER LTD (GB) 2009-05-27 EP disclosed
US-7538141-B2 Compounds for the treatment of diseases PFIZER INC. 2009-05-26 US disclosed
EP-1730141-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES Pfizer Limited (GB) 2006-12-13 EP disclosed
US-20050222128-A1 Compounds for the treatment of diseases PFIZER INC 2005-10-06 US disclosed
WO-2005092887-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-10-06 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-20050222128-A1 Compounds for the treatment of diseases LTC4S, LTB4R2, CYP11B2 ADRB2 639/4885KDM4E 4224/4885HSD17B10 470/4885

“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.