SCHEMBL895668

SCHEMBL895668

CC[C@@H](N)Cc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.73
ANPEP P15144 1/20 0.61
SLC6A4 P31645 3/20 0.60
SLC6A2 P23975 2/20 0.60
TAAR1 Q96RJ0 2/20 0.60
MAOA P21397 1/20 0.60
SLC6A3 Q01959 1/20 0.60
SIGMAR1 Q99720 1/20 0.60
CYP2A6 P11509 1/20 0.60
ADORA2A P29274 1/20 0.60
ADORA1 P30542 1/20 0.60
CYP2D6 P10635 1/20 0.56
SCN4A P35499 2/20 0.50
TRPA1 O75762 1/20 0.50

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
SCHEMBL895787 1.00 EPHX1 (0.73) EPHX1ANPEPSLC6A4SLC6A2TAAR1
SCHEMBL43428 1.00 EPHX1 (0.73) EPHX1ANPEPSLC6A4SLC6A2TAAR1
Hydrochloric Acid SCHEMBL8734599 0.98 EPHX1 (0.70) EPHX1ANPEPSLC6A4SLC6A2TAAR1
Hydrochloric Acid SCHEMBL8842804 0.98 EPHX1 (0.70) EPHX1ANPEPSLC6A4SLC6A2TAAR1
SCHEMBL17906518 0.87 SLC6A4 (0.56) EPHX1ANPEPSLC6A4SLC6A2TAAR1
SCHEMBL16945131 0.87 SLC6A4 (0.56) EPHX1ANPEPSLC6A4SLC6A2TAAR1
SCHEMBL8749872 0.87 EPHX1 (0.55) EPHX1ANPEPSLC6A4SLC6A2TAAR1
SCHEMBL6014598 0.85 EPHX1 (0.53) EPHX1ANPEPSLC6A4SLC6A2TAAR1
SCHEMBL28656 0.85 EPHX1 (1.00) EPHX1ANPEPSLC6A4SLC6A2TAAR1
SCHEMBL13696737 0.82 LTA4H (0.72) SLC6A2MAOASLC6A3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP claimed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO claimed
WO-2024054618-A1 METHODS FOR TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2024-03-14 WO disclosed
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed
US-11573224-B2 Methods of detection using X-ray fluorescence ICAGEN, LLC (US) 2023-02-07 US disclosed
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
US-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
EP-3193604-B1 SUBSTITUTED N-(PYRROLIDIN-3-YL)ISOXAZOLE-3-CARBOXAMIDE COMPOUNDS EPIZYME INC (US) 2021-06-16 EP disclosed
CN-110628739-B Amine dehydrogenase mutant and application thereof in synthesis of chiral amine and amino alcohol 华东理工大学 2021-04-09 CN disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
WO-2008127291-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-10-23 WO disclosed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US disclosed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO disclosed
EP-1818325-A2 3,4-DI-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION (US) 2007-08-15 EP disclosed
EP-1381590-B1 3,4-DI-SUBSTITUTED CYCLOBUTENE-1,2-DIONES AS CXC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2007-06-20 EP disclosed
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA, INC. 2007-01-25 US disclosed
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA, INC. 2007-01-25 US disclosed
EP-0404146-B1 Enantiomeric enrichment and stereoselective synthesis of chiral amines CELGENE CORP (US) 1996-03-20 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 (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-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 EPHX1 4200/4885ANPEP 696/4885SLC6A4 4316/4885
US-20070021494-A1 3,4-Di-substituted cyclobutene-1,2-diones as CXC-chemokine receptor ligands CCR1, ACKR3, CXCR1 EPHX1 1092/4885ANPEP 2051/4885SLC6A4 4197/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 EPHX1 4200/4885ANPEP 696/4885SLC6A4 4316/4885

“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.