SCHEMBL5360067

SCHEMBL5360067

CC(C)(CCCl)N=Cc1c(Cl)cccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
CHRM1 P11229 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
MAOA P21397 1/20 0.39
DRD1 P21728 1/20 0.39
TBXA2R P21731 1/20 0.39
SLC6A2 P23975 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2B P41595 1/20 0.39
MTOR P42345 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL5360061 1.00 SLC22A1 (0.39) SLC22A1HTR1AADRA2ACHRM1ADRA2B
SCHEMBL631266 0.75 L3MBTL1 (0.40) TAAR1LMNATSHRMEN1KMT2A
SCHEMBL631267 0.75 L3MBTL1 (0.40) TAAR1LMNATSHRMEN1KMT2A
SCHEMBL21939632 0.66 SLC22A1 (0.50) SLC22A1HTR1AADRA2ACHRM1ADRA2B
SCHEMBL14543883 0.66 SLC22A1 (0.46) SLC22A1HTR1AADRA2ACHRM1ADRA2B
SCHEMBL10565358 0.66 SLC22A1 (0.46) SLC22A1HTR1AADRA2ACHRM1ADRA2B
SCHEMBL13128180 0.66 SLC22A1 (0.46) SLC22A1HTR1AADRA2ACHRM1ADRA2B
SCHEMBL11887770 0.64 SLC22A1 (0.57) SLC22A1HTR1AADRA2ACHRM1ADRA2B
SCHEMBL10613416 0.64 SLC22A1 (0.57) SLC22A1HTR1AADRA2ACHRM1ADRA2B
SCHEMBL1096137 0.63 SLC22A1 (0.47) SLC22A1HTR1AADRA2ACHRM1ADRA2B

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-7214698-B2 Beta-agonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-05-08 US disclosed
US-20060173061-A1 New beta-agonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-03 US disclosed
EP-1558583-A1 NOVEL PHENYLETHANOLAMINE DERIVATIVES AND THE USE OF THE SAME AS BETA-3-AGONISTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-08-03 EP disclosed
US-20040127733-A1 New beta-agonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-01 US disclosed
WO-2004039784-A1 NOVEL PHENYLETHANOLAMINE DERIVATIVES AND THE USE OF THE SAME AS BETA-3-AGONISTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-13 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-20060173061-A1 New beta-agonists, processes for preparing them and their use as pharmaceutical compositions ADRB1, ADRB2, ADRA1A SLC22A1 2592/4885HTR1A 77/4885ADRA2A 6/4885
US-20040127733-A1 New beta-agonists, processes for preparing them and their use as pharmaceutical compositions ADRB1, ADRA1A, ADRA1D SLC22A1 3345/4885HTR1A 66/4885ADRA2A 6/4885

“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.