SCHEMBL1551685

SCHEMBL1551685

CC(C)(Cc1cc(F)cc(F)c1)NCC(O)c1cc(O)cc2c1OCC(=O)N2.CCOc1ccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1

nearest known ligand 0.89

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 19/20 0.89
ADRB1 P08588 18/20 0.89
CHRM2 P08172 1/20 0.77
HTR1A P08908 1/20 0.77
ADRA2A P08913 1/20 0.77
HTR2A P28223 1/20 0.77
SLC6A4 P31645 1/20 0.77
ADRA1A P35348 1/20 0.77
PTGS2 P35354 1/20 0.77
HTR2B P41595 1/20 0.77
SLC6A3 Q01959 1/20 0.77
PDE4D Q08499 1/20 0.77
KCNH2 Q12809 1/20 0.77

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
SCHEMBL153077 0.94 ADRB2 (1.00) ADRB2ADRB1CHRM2HTR1AADRA2A
SCHEMBL29737207 0.94 ADRB2 (1.00) ADRB2ADRB1CHRM2HTR1AADRA2A
SCHEMBL560927 0.94 ADRB2 (1.00) ADRB2ADRB1CHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL153900 0.94 ADRB2 (0.98) ADRB2ADRB1CHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL561414 0.94 ADRB2 (0.98) ADRB2ADRB1CHRM2HTR1AADRA2A
SCHEMBL4709183 0.92 ADRB2 (0.95) ADRB2ADRB1CHRM2HTR1AADRA2A
SCHEMBL561509 0.91 ADRB2 (1.00) ADRB2ADRB1CHRM2HTR1AADRA2A
SCHEMBL153578 0.91 ADRB2 (1.00) ADRB2ADRB1CHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL561092 0.90 ADRB2 (0.98) ADRB2ADRB1CHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL153670 0.90 ADRB2 (0.98) ADRB2ADRB1CHRM2HTR1AADRA2A

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-10947243-B2 Heteroaryl SYK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-03-16 US disclosed
US-10155751-B2 Pyrazolyl-substituted heteroaryls and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-12-18 US disclosed
US-20180148433-A1 New Pyrazolyl-substituted Heteroaryls and their use as Medicaments BOEHRINGER INGELHEIM INT (DE) 2018-05-31 US disclosed
EP-2313397-A1 CYCLOHEXYLOXY-SUBSTITUTED HETEROCYCLICS, MEDICINES CONTAINING THESE COMPOUNDS AND METHOD FOR THE PRODUCTION THEREOF Boehringer Ingelheim International GmbH (DE) 2011-04-27 EP disclosed
WO-2010015522-A1 CYCLOHEXYLOXY-SUBSTITUTED HETEROCYCLICS, MEDICINES CONTAINING THESE COMPOUNDS AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-11 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 (3 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-10155751-B2 Pyrazolyl-substituted heteroaryls and their use as medicaments HRH4, HRH3, HRH1 ADRB2 55/4885ADRB1 58/4885CHRM2 75/4885
US-10947243-B2 Heteroaryl SYK inhibitors SYK, BTK, CD40 ADRB2 1410/4885ADRB1 887/4885CHRM2 220/4885
US-20180148433-A1 New Pyrazolyl-substituted Heteroaryls and their use as Medicaments HRH4, HRH2, HRH3 ADRB2 50/4885ADRB1 80/4885CHRM2 58/4885

“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.