SCHEMBL841728

SCHEMBL841728

c1ccc(COc2ccc3cccnc3c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 1.00
PDE10A Q9Y233 1/20 0.68
ALOX5 P09917 1/20 0.67
NPC1 O15118 2/20 0.52
RAB9A P51151 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
MAOB P27338 4/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA3 P07451 1/20 0.49
MAOA P21397 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA7 P43166 1/20 0.49
MTNR1A P48039 1/20 0.49

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
SCHEMBL30125417 1.00 CYP3A4 (1.00) CYP3A4PDE10AALOX5NPC1RAB9A
SCHEMBL4035810 0.87 CYP3A4 (0.77) CYP3A4PDE10AALOX5NPC1RAB9A
SCHEMBL27969047 0.86 CYP3A4 (0.76) CYP3A4PDE10AALOX5MEN1KMT2A
SCHEMBL1681256 0.84 CYP3A4 (0.73) CYP3A4PDE10AALOX5NPC1RAB9A
SCHEMBL27357321 0.84 CYP3A4 (0.72) CYP3A4PDE10AALOX5MEN1KMT2A
SCHEMBL14937684 0.82 CYP3A4 (0.69) CYP3A4PDE10ANPC1RAB9AMEN1
SCHEMBL13463310 0.82 CYP3A4 (0.69) CYP3A4PDE10AALOX5NPC1RAB9A
SCHEMBL23412137 0.81 CYP3A4 (0.68) CYP3A4PDE10ANPC1RAB9AMEN1
SCHEMBL51460 0.81 ALOX5 (1.00) CYP3A4ALOX5NPC1RAB9AMEN1
Benzene SCHEMBL27935642 0.80 CYP3A4 (0.67) CYP3A4PDE10AALOX5NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106216-A1 Method of measuring drug-metabolizing enzyme activity, method of evaluating inhibition of drug-metabolizing enzyme activity, and composition for these methods TOYO BOSEKI KABUSHIKI KAISHA (JP) 2004-06-03 US claimed
EP-1378751-A2 Method of measuring drug-metabolizing enzyme activity, method of evaluating inhibition of drug-metabolizing enzyme activity, and composition for these methods Toyo Boseki Kabushiki Kaisha (JP) 2004-01-07 EP claimed
US-20030211565-A1 Monooxygenase assays SINGH SHARAT (US) 2003-11-13 US claimed
US-6632630-B2 Quantitative analysis ACLARA BIOSCIENCES, INC. 2003-10-14 US claimed
EP-1268848-A2 MONOOXYGENASE ASSAYS Aclara BioSciences, Inc. (US) 2003-01-02 EP claimed
US-20020025545-A1 Monooxygenase assays MONOGRAM BIOSCIENCES, INC. 2002-02-28 US claimed
WO-2001073113-A2 MONOOXYGENASE ASSAYS ACLARA BIOSCIENCES, INC. (US) 2001-10-04 WO claimed
US-12595269-B2 Morpholine-like monoamine releasers Solvonis Therapeutics Ireland Holdings Limited (IE) 2026-04-07 US disclosed
US-12590077-B2 Short-acting monoamine releasers Solvonics Therapeutics Ireland Holdings Limited (IE) 2026-03-31 US disclosed
US-20250179089-A1 BRIDGED RING COMPOUNDS AND THEIR THERAPEUTIC USE AS CNS AGENTS AWAKN LS EUROPE HOLDINGS LIMITED (IE) 2025-06-05 US disclosed
US-20250100990-A1 1,3-BENZODIOXOLE ESTERS AND THEIR THERAPEUTIC USE AWAKN LS EUROPE HOLDINGS LIMITED (IE) 2025-03-27 US disclosed
US-20240190809-A1 THERAPEUTIC AMINOINDANE COMPOUNDS AND COMPOSITIONS AWAKN LS EUROPE HOLDINGS LIMITED (IE) 2024-06-13 US disclosed
US-11560365-B2 Non-fluorescent rhodamines THE UNIVERSITY OF TOKYO (JP) 2023-01-24 US disclosed
WO-2002024689-A1 ISOXAZOLIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DIABETES, HYPERLIPIDEMIA, AND ATHEROSCLEROSIS ARYX THERAPEUTICS (US) 2002-03-28 WO disclosed
US-20020025545-A1 Monooxygenase assays MONOGRAM BIOSCIENCES, INC. 2002-02-28 US disclosed
US-20020009751-A1 Drosophila homologues of genes and proteins implicated in metabolism and methods of use EXELIXIS, INC. 2002-01-24 US disclosed
WO-2001073113-A2 MONOOXYGENASE ASSAYS ACLARA BIOSCIENCES, INC. (US) 2001-10-04 WO disclosed
EP-1119412-A2 SAMPLE EVAPORATIVE CONTROL Aclara BioSciences, Inc. (US) 2001-08-01 EP disclosed
WO-2001014361-A1 THE USE OF FLUORESCEIN ARYL ETHERS IN HIGH THROUGHPUT CYTOCHROME P450 INHIBITION ASSAYS GENTEST CORPORATION (US) 2001-03-01 WO disclosed
WO-2000067907-A2 SAMPLE EVAPORATIVE CONTROL ACLARA BIOSCIENCES, INC. (US) 2000-11-16 WO 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 (6 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-20250100990-A1 1,3-BENZODIOXOLE ESTERS AND THEIR THERAPEUTIC USE DBH, TSPO, DDO CYP3A4 97/4885PDE10A 1735/4885ALOX5 449/4885
US-20240190809-A1 THERAPEUTIC AMINOINDANE COMPOUNDS AND COMPOSITIONS AADAT, PNMT, SLC1A2 CYP3A4 1778/4885PDE10A 630/4885ALOX5 1281/4885
US-12590077-B2 Short-acting monoamine releasers SLC6A2, NPY2R, SLC6A3 CYP3A4 688/4885PDE10A 280/4885ALOX5 2084/4885
US-12595269-B2 Morpholine-like monoamine releasers HTR3B, HTR3D, SLC6A3 CYP3A4 1129/4885PDE10A 483/4885ALOX5 4765/4885
US-20250179089-A1 BRIDGED RING COMPOUNDS AND THEIR THERAPEUTIC USE AS CNS AGENTS PNMT, SLC18A2, HTR2C CYP3A4 551/4885PDE10A 1860/4885ALOX5 4288/4885
US-11560365-B2 Non-fluorescent rhodamines QTRT1, QTRT2, NONO CYP3A4 2537/4885PDE10A 4226/4885ALOX5 4868/4885

“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.