SCHEMBL1591485

SCHEMBL1591485

CCOc1ncc(C)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 1/20 0.40
HPGD P15428 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRM5 P41594 1/20 0.35
LMNA P02545 1/20 0.34
CDK1 P06493 1/20 0.34
CDK2 P24941 1/20 0.34
KDR P35968 1/20 0.34
APP P05067 5/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CCR1 P32246 1/20 0.33
CCR5 P51681 1/20 0.33
CCR8 P51685 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 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
SCHEMBL2702034 0.83 CNR2 (0.39) HPGDTDP1MAPTL3MBTL1APP
SCHEMBL19040385 0.79 APP (0.54) SMN1; SMN2LMNAAPPALDH1A1THRB
SCHEMBL16388761 0.79 NOS3 (0.45) SLC13A5GRM5CCR1CCR5CCR8
SCHEMBL1845695 0.79 SLC13A5 (0.37) SLC13A5HPGDTDP1MAPTL3MBTL1
SCHEMBL2005246 0.78 PLAU (0.40) HPGDTDP1MAPTL3MBTL1SMN1; SMN2
SCHEMBL20304947 0.78 HPGD (0.38) HPGDSMN1; SMN2LMNACDK1CDK2
SCHEMBL16046248 0.78 HPGD (0.38) HPGDTDP1MAPTL3MBTL1SMN1; SMN2
SCHEMBL14823453 0.78 PTGS2 (0.38) MAPTL3MBTL1APPHSD17B10KDM4E
SCHEMBL15033986 0.78 GRM5 (0.45) SLC13A5HPGDTDP1MAPTL3MBTL1
SCHEMBL14823455 0.77 OPRK1 (0.37) CDK2OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250122172-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS DART NEUROSCIENCE LLC 2025-04-17 US disclosed
US-20230075774-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS DART NEUROSCIENCE LLC (US) 2023-03-09 US disclosed
US-11279691-B2 Substituted pyridine and pyrazine compounds as PDE4 inhibitors DART NEUROSCIENCE LLC (US) 2022-03-22 US disclosed
EP-3345902-B1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS DART NEUROSCIENCE CAYMAN LTD (KY) 2019-10-30 EP disclosed
EP-3345902-B1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS DART NEUROSCIENCE CAYMAN LTD (KY) 2019-10-30 EP disclosed
US-20180346448-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS DART NEUROSCIENCE CAYMAN LTD (KY) 2018-12-06 US disclosed
EP-2953940-B1 PIPERIDIN-1-YL AND AZEPIN-1-YL CARBOXYLATES AS MUSCARINIC M4 RECEPTOR AGONISTS HEPTARES THERAPEUTICS LTD (GB) 2018-08-22 EP disclosed
US-20180208587-A1 TETRAHYDROQUINOLINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATMENT OF DISEASE LYCERA CORPORATION 2018-07-26 US disclosed
US-10030012-B2 Piperidin-1-yl and azepin-1-yl carboxylates as muscarinic M4 receptor agonists HEPTARES THERAPEUTICS LIMITED (GB) 2018-07-24 US disclosed
EP-3345902-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS Dart NeuroScience (Cayman) Ltd (KY) 2018-07-11 EP disclosed
US-7812024-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-12 US disclosed
EP-2231645-A2 5-HALOGEN-SUBSTITUTED OXINDOLE DERIVATIVES AND USE THEREOF FOR TREATING VASOPRESSINE-DEPENDENT DISEASES Abbott GmbH & Co. KG (DE) 2010-09-29 EP disclosed
WO-2009071689-A2 5-HALOGEN-SUBSTITUTED OXINDOLE DERIVATIVES AND USE THEREOF FOR TREATING VASOPRESSINE-DEPENDENT DISEASES ABBOTT GMBH & CO. KG (DE) 2009-06-11 WO disclosed
US-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY 2007-09-13 US disclosed
US-7244843-B2 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-17 US disclosed
EP-1675859-A1 MODULATORS OF SEROTONIN RECEPTORS Bristol-Myers Squibb Company (US) 2006-07-05 EP disclosed
WO-2005035533-A1 MODULATORS OF SEROTONIN RECEPTORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-21 WO disclosed
US-20050080074-A1 Modulators of serotonin receptors BRISTOL-MYERS SQUIBB COMPANY 2005-04-14 US disclosed
US-6849619-B2 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-01 US disclosed
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-23 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 (9 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-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 SLC13A5 1002/4885HPGD 1286/4885TDP1 3507/4885
US-20180346448-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4D SLC13A5 3049/4885HPGD 1352/4885TDP1 1166/4885
US-20250122172-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4D SLC13A5 3049/4885HPGD 1352/4885TDP1 1166/4885
US-10030012-B2 Piperidin-1-yl and azepin-1-yl carboxylates as muscarinic M4 receptor agonists CHRM1, CHRM2, CHRM4 SLC13A5 2135/4885HPGD 3768/4885TDP1 3870/4885
US-20070213337-A1 MODULATORS OF SEROTONIN RECEPTORS HTR5A, HTR1A, HTR2A SLC13A5 3006/4885HPGD 2668/4885TDP1 4206/4885
US-20230075774-A1 SUBSTITUTED PYRIDINE AND PYRAZINE COMPOUNDS AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4D SLC13A5 3049/4885HPGD 1352/4885TDP1 1166/4885
US-20050080074-A1 Modulators of serotonin receptors HTR5A, HTR1A, HTR2B SLC13A5 2954/4885HPGD 2494/4885TDP1 4247/4885
US-20180208587-A1 TETRAHYDROQUINOLINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATMENT OF DISEASE RORA, RORB, RORC SLC13A5 4237/4885HPGD 1086/4885TDP1 4596/4885
US-11279691-B2 Substituted pyridine and pyrazine compounds as PDE4 inhibitors PDE4A, PDE4B, PDE4D SLC13A5 3051/4885HPGD 1350/4885TDP1 1169/4885

“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.