SCHEMBL4150802

SCHEMBL4150802

CC(C)N(CC[C@H](c1ccccc1)c1cc(CCOc2ccc(CCNC[C@@H](O[Si](C)(C)C(C)(C)C)c3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)cc2)ccc1OCc1ccccc1)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 7/20 0.49
CHRM3 P20309 6/20 0.49
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
LTA4H P09960 1/20 0.35
KCNH2 Q12809 1/20 0.34
MCHR1 Q99705 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BCHE P06276 5/20 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
SCHEMBL4150798 1.00 ADRB2 (0.49) ADRB2CHRM3CHRM2CHRM1LTA4H
SCHEMBL4141725 0.90 ADRB2 (0.55) ADRB2CHRM3CHRM2CHRM1KCNH2
SCHEMBL4657685 0.90 ADRB2 (0.47) ADRB2CHRM3CHRM2CHRM1LTA4H
SCHEMBL4155144 0.89 ADRB2 (0.64) ADRB2CHRM3CHRM2CHRM1KCNH2
SCHEMBL4145088 0.89 ADRB2 (0.64) ADRB2CHRM3CHRM2CHRM1KCNH2
SCHEMBL4144944 0.89 ADRB2 (0.48) ADRB2CHRM3CHRM2CHRM1KCNH2
SCHEMBL4151178 0.89 ADRB2 (0.56) ADRB2CHRM3CHRM2CHRM1KCNH2
SCHEMBL4153782 0.87 ADRB2 (0.57) ADRB2CHRM3CHRM2CHRM1
SCHEMBL4157075 0.86 ADRB2 (0.50) ADRB2CHRM3CHRM2CHRM1BCHE
SCHEMBL4154452 0.85 CHRM3 (0.61) ADRB2CHRM3CHRM2CHRM1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612084-B2 Amine derivatives for the treatment of asthma and COPD PFIZER INC (US) 2009-11-03 US disclosed
US-20090253739-A1 Amine Derivatives PFIZER INC 2009-10-08 US disclosed
EP-1999107-A2 AMINE DERIVATIVES Pfizer Limited (GB) 2008-12-10 EP disclosed
US-20070265303-A1 Amine derivatives PFIZER LIMITED 2007-11-15 US disclosed
WO-2007107828-A2 AMINE DERIVATIVES PFIZER LIMITED (GB) 2007-09-27 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 (2 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-20070265303-A1 Amine derivatives HNMT, HRH4, CMA1 ADRB2 93/4885CHRM3 169/4885CHRM2 142/4885
US-20090253739-A1 Amine Derivatives HNMT, HRH4, CMA1 ADRB2 93/4885CHRM3 169/4885CHRM2 142/4885

“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.