SCHEMBL1205511

SCHEMBL1205511

C[C@@](O)(Cc1cc(Cl)c(N)c(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.43
ADRB1 P08588 2/20 0.43
AR P10275 2/20 0.34
IDO1 P14902 2/20 0.33
P2RX7 Q99572 2/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL1205509 1.00 ADRB2 (0.43) ADRB2ADRB1ARIDO1P2RX7
SCHEMBL4510518 0.84 AR (0.35) ADRB2AR
SCHEMBL4510523 0.84 AR (0.35) ADRB2AR
SCHEMBL1206845 0.84 ADRB2 (0.39) ADRB2ADRB1IDO1P2RX7MAPT
SCHEMBL1206842 0.84 ADRB2 (0.39) ADRB2ADRB1IDO1P2RX7MAPT
SCHEMBL1205600 0.81 KDM4E (0.33) ADRB2ADRB1MAPT
SCHEMBL1205603 0.81 KDM4E (0.33) ADRB2ADRB1MAPT
SCHEMBL1207358 0.75 ADRB2 (0.40) ADRB2ADRB1IDO1
SCHEMBL5166688 0.74 IDO1 (0.41) ADRB2ADRB1IDO1
SCHEMBL3311587 0.74 ADRB2 (0.49) ADRB2ADRB1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034444-A1 SELECTED CGRP ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-10 US disclosed
US-7858622-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-28 US disclosed
US-20100004228-A1 SELECTED CGRP ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-07 US disclosed
US-7579341-B2 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-25 US disclosed
US-7547694-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-16 US disclosed
US-20070275951-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions MUELLER STEPHAN G 2007-11-29 US disclosed
US-20070049581-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-03-01 US 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 (4 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-20100004228-A1 SELECTED CGRP ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS CALCRL, CALCR, CALCA ADRB2 50/4885ADRB1 35/4885AR 1245/4885
US-20070275951-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA ADRB2 62/4885ADRB1 23/4885AR 1571/4885
US-20070049581-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA ADRB2 50/4885ADRB1 35/4885AR 1245/4885
US-20110034444-A1 SELECTED CGRP ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS CALCRL, CALCR, CALCA ADRB2 50/4885ADRB1 35/4885AR 1245/4885

“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.