SCHEMBL3914874

SCHEMBL3914874

CC(Cc1cccc(CC(=O)NC23CC4CC(CC(C4)C2)C3)c1)NCC(O)c1cc(O)cc(O)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.75
CYP3A4 P08684 2/20 0.50
MAPK1 P28482 2/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ADRB1 P08588 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
ADRB3 P13945 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
HTR2A P28223 1/20 0.50
SLC6A4 P31645 1/20 0.50
MC4R P32245 1/20 0.50
ADRA1A P35348 1/20 0.50
OPRM1 P35372 1/20 0.50
MC3R P41968 1/20 0.50
SLC6A3 Q01959 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL13840705 1.00 ADRB2 (0.75) ADRB2CYP3A4MAPK1CYP2D6TSHR
SCHEMBL523341 0.86 ADRB2 (1.00) ADRB2
SCHEMBL28572968 0.86 ADRB2 (1.00) ADRB2
SCHEMBL523340 0.86 ADRB2 (1.00) ADRB2
SCHEMBL3626799 0.84 ADRB2 (0.69) ADRB2CYP3A4MAPK1CYP2D6TSHR
SCHEMBL3626796 0.84 ADRB2 (0.69) ADRB2CYP3A4MAPK1CYP2D6TSHR
SCHEMBL3623588 0.84 ADRB2 (0.76) ADRB2CYP3A4MAPK1CYP2D6TSHR
SCHEMBL3623590 0.84 ADRB2 (0.76) ADRB2CYP3A4MAPK1CYP2D6TSHR
SCHEMBL13840620 0.83 ADRB2 (0.57) ADRB2NPSR1
SCHEMBL3914401 0.83 ADRB2 (0.57) ADRB2NPSR1

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 639/4885CYP3A4 349/4885MAPK1 1757/4885

“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.