SCHEMBL522914

SCHEMBL522914

O=C(O)C(F)(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.50
PTPN1 P18031 1/20 0.50
CES1 P23141 2/20 0.46
CYP2D6 P10635 1/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA5A P35218 1/20 0.43
CA9 Q16790 1/20 0.43
KCNN4 O15554 3/20 0.42
PGK1 P00558 1/20 0.41
PGK2 P07205 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41

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
Bromide SCHEMBL27743797 0.97 CYP1A2 (0.50) CYP1A2ALDH1A1TSHRPTPN1CES1
Bromomethane SCHEMBL208626 0.93 CYP1A2 (0.46) CYP1A2ALDH1A1TSHRPTPN1CES1
SCHEMBL17968493 0.80 MAPT (0.56) CYP1A2ALDH1A1TSHRPTPN1CES1
SCHEMBL4028655 0.80 KCNN4 (0.50) CES1MAPTKMT2ACA1CA2
SCHEMBL27819946 0.80 CYP1A2 (0.48) CYP1A2ALDH1A1TSHRPTPN1CES1
SCHEMBL354556 0.79 CYP1A2 (0.52) CYP1A2ALDH1A1TSHRPTPN1CES1
SCHEMBL3629687 0.77 CYP1A2 (0.50) CYP1A2ALDH1A1TSHRPTPN1CES1
SCHEMBL30274469 0.77 CYP1A2 (0.50) CYP1A2ALDH1A1TSHRPTPN1CES1
SCHEMBL3669362 0.77 CYP1A2 (0.50) CYP1A2ALDH1A1TSHRPTPN1CES1
Water SCHEMBL9562304 0.77 CYP1A2 (0.50) CYP1A2ALDH1A1TSHRPTPN1CES1

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 197 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250205232-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-26 US disclosed
EP-2152341-B2 ATOMIZER IN THE FORM OF AN INHALER FOR MEDICAL AEROSOL THERAPY BOEHRINGER INGELHEIM PHARMA (DE) 2025-04-02 EP disclosed
US-12209094-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2025-01-28 US disclosed
US-12168009-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-12-17 US disclosed
US-11951212-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-04-09 US disclosed
US-20240109909-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2024-04-04 US disclosed
US-11731981-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2023-08-22 US disclosed
EP-4223294-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES Vertex Pharmaceuticals Incorporated (US) 2023-08-09 EP disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
EP-3925607-B1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES VERTEX PHARMA (US) 2023-06-28 EP disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 US disclosed
CN-1275962-C Novel anticholinergic agents that can be used as medicaments and method for the production thereof BOEHRINGER INGELHEIM PHARMA (DE) 2006-09-20 CN disclosed
US-20060134007-A1 Blister for inhalers BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-22 US disclosed
EP-1631569-A2 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS Novartis AG (CH) 2006-03-08 EP disclosed
US-20050197357-A1 Anticholinergics which may be used as medicaments as well as processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-09-08 US disclosed
WO-2004096800-A2 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS NOVARTIS AG (CH) 2004-11-11 WO disclosed
US-20040087617-A1 Anticholinergics which may be used as medicaments as well as processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-06 US disclosed
US-6706726-B2 QUATERNIZED DIARYLACETOXY-SUBSTITUTED NORTROPANE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-16 US disclosed
CN-1468236-A Novel anticholinergic agents which can be used as medicaments and method for the production thereof ���ָ��Ӣ��ķ�������Ϲ�˾ 2004-01-14 CN disclosed
US-20020115680-A1 Anticholinergics which may be used as medicaments as well as processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-22 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 (11 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-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors CHRM3, CHRM2, CHRM1 CYP1A2 1121/4885ALDH1A1 1477/4885TSHR 184/4885
US-20020115680-A1 Anticholinergics which may be used as medicaments as well as processes for preparing them CHRM2, CHRM1, CHRM5 CYP1A2 152/4885ALDH1A1 1249/4885TSHR 1177/4885
US-11731981-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 CYP1A2 755/4885ALDH1A1 1767/4885TSHR 844/4885
US-20050197357-A1 Anticholinergics which may be used as medicaments as well as processes for preparing them CHRM1, CHRM2, CHRM3 CYP1A2 121/4885ALDH1A1 1436/4885TSHR 655/4885
US-20250205232-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 CYP1A2 3773/4885ALDH1A1 3524/4885TSHR 1187/4885
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 CYP1A2 3773/4885ALDH1A1 3524/4885TSHR 1187/4885
US-20240109909-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 CYP1A2 755/4885ALDH1A1 1767/4885TSHR 844/4885
US-20040087617-A1 Anticholinergics which may be used as medicaments as well as processes for preparing them CHRM1, CHRM2, CHRM5 CYP1A2 207/4885ALDH1A1 838/4885TSHR 1075/4885
US-12168009-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 CYP1A2 3773/4885ALDH1A1 3524/4885TSHR 1187/4885
US-11951212-B2 Pharmaceutical compositions for the treatment of cystic fibrosis transmembrane conductance regulator mediated diseases CFTR, SLC26A4, PKD1 CYP1A2 4536/4885ALDH1A1 2648/4885TSHR 1730/4885
US-12209094-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 CYP1A2 755/4885ALDH1A1 1767/4885TSHR 844/4885

“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.