SCHEMBL7425901

SCHEMBL7425901

CCOC(=O)C1CCc2ccccc2C(=O)N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
CYP1A2 P05177 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.42
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
HPGD P15428 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL22800767 0.90 KDM4E (0.44) KDM4ECYP1A2SMN1; SMN2ALDH1A1MAPT
SCHEMBL22800174 0.90 KDM4E (0.44) KDM4ECYP1A2SMN1; SMN2ALDH1A1MAPT
SCHEMBL7436971 0.86 KDM4E (0.46) KDM4ECYP1A2SMN1; SMN2ALDH1A1MAPT
SCHEMBL5849585 0.82 MTNR1A (0.53) KDM4EALDH1A1MAPT
SCHEMBL30358033 0.82 MTNR1A (0.53) KDM4EALDH1A1MAPT
SCHEMBL428189 0.82 MTNR1A (0.53) KDM4EALDH1A1MAPT
SCHEMBL17648067 0.82 TSHR (0.46) KDM4ESMN1; SMN2TSHRALDH1A1MAPT
SCHEMBL22800171 0.81 CYP1A2 (0.40) KDM4ECYP1A2SMN1; SMN2TSHRALDH1A1
SCHEMBL22799762 0.81 CYP1A2 (0.40) KDM4ECYP1A2SMN1; SMN2TSHRALDH1A1
Hydrochloric Acid SCHEMBL6531864 0.81 MTNR1A (0.52) KDM4ECYP1A2ALDH1A1MAPTMAPK1

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 39 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
US-12168009-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-12-17 US disclosed
CN-112279808-B Cystic fibrosis transmembrane conductance regulator modulators 弗特克斯药品有限公司 2024-03-08 CN disclosed
CN-112250627-B Cystic fibrosis transmembrane conductance regulator modulators 弗特克斯药品有限公司 2024-02-02 CN disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
US-11426407-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-08-30 US disclosed
EP-3798214-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2021-03-31 EP disclosed
US-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-25 US disclosed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
WO-2016057572-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MILLER MARK THOMAS (US) 2016-04-14 WO disclosed
US-20160095858-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-04-07 US disclosed
US-20160095858-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-04-07 US disclosed
US-20160095858-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-04-07 US disclosed
EP-0670310-B1 Bisulfite adducts of arginine aldehydes useful as thrombin inhibitors and as anticoagulants LILLY CO ELI (US) 1998-09-02 EP disclosed
US-5578574-A THROMBIN INHIBITORS OR ANTICOAGULANTS ELI LILLY AND COMPANY (US) 1996-11-26 US disclosed
EP-0672665-A1 Antithrombotic agents ELI LILLY AND COMPANY (US) 1995-09-20 EP disclosed
EP-0670310-A1 Bisulfite adducts of arginine aldehydes useful as thrombin inhibitors and as anticoagulants ELI LILLY AND COMPANY (US) 1995-09-06 EP 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 (7 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-11426407-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 KDM4E 2973/4885CYP1A2 3773/4885SMN1; SMN2 4751/4885
US-20250205232-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 KDM4E 2973/4885CYP1A2 3773/4885SMN1; SMN2 4751/4885
US-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 KDM4E 2973/4885CYP1A2 3773/4885SMN1; SMN2 4751/4885
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 KDM4E 2973/4885CYP1A2 3773/4885SMN1; SMN2 4751/4885
US-12168009-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 KDM4E 2973/4885CYP1A2 3773/4885SMN1; SMN2 4751/4885
US-20160095858-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, SCNN1B, SLC26A4 KDM4E 2973/4885CYP1A2 3773/4885SMN1; SMN2 4751/4885
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 KDM4E 2973/4885CYP1A2 3773/4885SMN1; SMN2 4751/4885

“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.