SCHEMBL3309683

SCHEMBL3309683

COC(=O)C(CC(=O)O)Cc1cc(Cl)c(N)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.43
ADRB1 P08588 1/20 0.43
RAMP1 O60894 1/20 0.37
CALCRL Q16602 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
FOLH1 Q04609 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL3309680 1.00 ADRB2 (0.43) ADRB2ADRB1RAMP1CALCRLMEN1
SCHEMBL3306655 0.92 FOLH1 (0.37) ADRB2ADRB1KMT2APPARGFOLH1
SCHEMBL3306650 0.92 FOLH1 (0.37) ADRB2ADRB1KMT2APPARGFOLH1
SCHEMBL3308134 0.87 ADRB2 (0.42) ADRB2PPARGFOLH1LMNAMAPT
SCHEMBL4501949 0.87 KMT2A (0.36) MEN1KMT2AL3MBTL1ALDH1A1MAPK1
SCHEMBL3308130 0.87 ADRB2 (0.42) ADRB2PPARGFOLH1LMNAMAPT
SCHEMBL4501945 0.87 KMT2A (0.36) MEN1KMT2AL3MBTL1ALDH1A1MAPK1
SCHEMBL3520174 0.87 CPA1 (0.44) ADRB2ADRB1RAMP1CALCRLMEN1
SCHEMBL3520168 0.87 CPA1 (0.44) ADRB2ADRB1RAMP1CALCRLMEN1
SCHEMBL3310928 0.86 ADRB2 (0.41) ADRB2ADRB1RAMP1CALCRLPPARG

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-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-05-06 US disclosed
US-7528129-B2 CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-05 US disclosed
CN-101146799-A Cgrp-antagonists, process for their preparation as well as their use as medicaments BOEHRINGER INGELHEIM INT (DE) 2008-03-19 CN disclosed
US-20060252931-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 US disclosed
CN-1708493-A Selected CGRP antagonists, method for production and use thereof as medicament BOEHRINGER INGELHEIM PHARMA (DE) 2005-12-14 CN 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-20060252931-A1 New CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA ADRB2 62/4885ADRB1 43/4885RAMP1 50/4885
US-20100113411-A1 Selected CGRP antagonists, processes for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA ADRB2 63/4885ADRB1 39/4885RAMP1 84/4885

“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.