SCHEMBL4387750

SCHEMBL4387750

CCC1Cc2cc(Br)ccc2O1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.45
ADRA2A P08913 2/20 0.45
ADRA2B P18089 2/20 0.45
ADRA2C P18825 2/20 0.45
HRH3 Q9Y5N1 7/20 0.41
HRH4 Q9H3N8 1/20 0.41
PBRM1 Q86U86 1/20 0.41
GLS O94925 2/20 0.38
METAP1 P53582 1/20 0.37
CA2 P00918 1/20 0.37
KDM1A O60341 2/20 0.36
AHR P35869 1/20 0.35
BACE1 P56817 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL30785252 0.86 GLS (0.42) PNMTADRA2AADRA2BADRA2CHRH3
SCHEMBL28017915 0.84 SIRT2 (0.42) PNMTADRA2AADRA2BADRA2CHRH3
SCHEMBL28870975 0.83 GLS (0.41) PNMTADRA2AADRA2BADRA2CHRH3
SCHEMBL6621837 0.83 PNMT (0.47) PNMTADRA2AADRA2BADRA2CHRH3
SCHEMBL29804035 0.83 PNMT (0.47) PNMTADRA2AADRA2BADRA2CHRH3
SCHEMBL8250882 0.82 HRH3 (0.43) PNMTADRA2AADRA2BADRA2CHRH3
SCHEMBL8690822 0.82 SIRT2 (0.46) GLS
SCHEMBL20651133 0.81 HRH3 (0.42) HRH3HRH4CA2
SCHEMBL10367513 0.81 HRH3 (0.37) PNMTADRA2AADRA2BADRA2CHRH3
SCHEMBL8038096 0.80 CA2 (0.38) PNMTADRA2AADRA2BADRA2CHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US disclosed
US-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US disclosed
US-7629358-B2 Compounds useful for the treatment of diseases PFIZER INC (US) 2009-12-08 US disclosed
EP-1727789-A2 PHENYLETHANOLAMINE DERIVATIVES AS BETA-2 AGONISTS Pfizer Limited (GB) 2006-12-06 EP disclosed
US-20050234097-A1 Compounds useful for the treatment of diseases PFIZER INC 2005-10-20 US disclosed
WO-2005090287-A2 PHENYLETHANOLAMINE DERIVATIVES AS BETA-2 AGONISTS PFIZER LIMITED (GB) 2005-09-29 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-20050234097-A1 Compounds useful for the treatment of diseases LTC4S, CYP11B2, CYP11B1 PNMT 703/4885ADRA2A 1204/4885ADRA2B 1129/4885

“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.