SCHEMBL84380

SCHEMBL84380

COc1cncc(C(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.43
CYP2D6 P10635 4/20 0.43
SLC6A2 P23975 4/20 0.43
SLC6A4 P31645 4/20 0.43
SLC6A3 Q01959 4/20 0.43
KCNH2 Q12809 1/20 0.43
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
CYP11B1 P15538 4/20 0.42
CYP11B2 P19099 4/20 0.42
MKNK2 Q9HBH9 2/20 0.42
ROCK2 O75116 1/20 0.42
MAP4K4 O95819 1/20 0.42
PRKACA P17612 1/20 0.42
ROCK1 Q13464 1/20 0.42
DYRK1A Q13627 1/20 0.42
NTRK3 Q16288 1/20 0.42
PKN2 Q16513 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
STK17A Q9UEE5 1/20 0.42

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
SCHEMBL13086424 0.88 CYP1A1 (0.55) CYP3A4CYP1A1CYP1B1CYP11B1CYP11B2
SCHEMBL13779689 0.83 CYP11B1 (0.58) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL30190565 0.82 CYP11B1 (0.39) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL27232916 0.82 CYP11B1 (0.39) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL27232910 0.82 CYP11B1 (0.39) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL28483677 0.81 CYP3A4 (0.46) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL799287 0.81 CHRNB2 (0.43) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL19503786 0.80 CYP11B1 (0.38) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL17827956 0.80 CYP3A4 (0.40) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL12284707 0.79 CYP3A4 (0.39) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024148060-A1 MK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2024-07-11 WO disclosed
WO-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 WO disclosed
US-20240068009-A1 SUBSTITUTED IMIDAZO[1,2-a]PYRAZINES AS LUCIFERASE SUBSTRATES PROMEGA CORPORATION 2024-02-29 US disclosed
US-20240068009-A1 SUBSTITUTED IMIDAZO[1,2-a]PYRAZINES AS LUCIFERASE SUBSTRATES PROMEGA CORPORATION 2024-02-29 US disclosed
WO-2024044757-A1 AMINOPYRIMIDINE AND AMINOTRIAZINE DERIVATIVES AS MYC PROTEIN MODULATORS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-29 WO disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor AMGEN INC. (US) 2023-11-07 US disclosed
US-11781168-B2 Process for preparing substituted imidazo[1,2-α]pyrazines PROMEGA CORPORATION (US) 2023-10-10 US disclosed
US-11781168-B2 Process for preparing substituted imidazo[1,2-α]pyrazines PROMEGA CORPORATION (US) 2023-10-10 US disclosed
US-20080182837-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-31 US disclosed
US-20080051420-A1 New Compounds 317 ASTRAZENECA AB (SE) 2008-02-28 US disclosed
US-20080051420-A1 New Compounds 317 ASTRAZENECA AB (SE) 2008-02-28 US disclosed
WO-2008003770-A1 PHENYL SUBSTITUTED HETEROARYL-DERIVATIVES AND USE THEREOF AS ANTI-TUMOR AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-10 WO disclosed
US-20070299087-A1 New Compounds 319 ASTRAZENECA AB (SE) 2007-12-27 US disclosed
US-20070299087-A1 New Compounds 319 ASTRAZENECA AB (SE) 2007-12-27 US disclosed
WO-2007145568-A1 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2007-12-21 WO disclosed
US-7217712-B2 4-Substituted-5-cyano-1H-pyrimidin-6-(thi)ones as GSK-3 inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-15 US disclosed
US-20070049605-A1 Dibenzo chromene derivatives and their use as ERbeta selective ligands WYETH (US) 2007-03-01 US disclosed
US-7157492-B2 Dibenzo chromene derivatives and their use as ERβ selective ligands WYETH (US) 2007-01-02 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 (8 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-11781168-B2 Process for preparing substituted imidazo[1,2-α]pyrazines CYP4Z1, CYP2E1, CYP2F1 CYP3A4 14/4885CYP2D6 161/4885SLC6A2 4812/4885
US-20070299087-A1 New Compounds 319 PSEN2, PSEN1, MAPT CYP3A4 4202/4885CYP2D6 4190/4885SLC6A2 68/4885
US-20070049605-A1 Dibenzo chromene derivatives and their use as ERbeta selective ligands ESR2, ESR1, ESRRA CYP3A4 318/4885CYP2D6 321/4885SLC6A2 4666/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 CYP3A4 4104/4885CYP2D6 4598/4885SLC6A2 2707/4885
US-20080051420-A1 New Compounds 317 PSEN2, PSEN1, MAPT CYP3A4 4235/4885CYP2D6 4357/4885SLC6A2 84/4885
US-20240068009-A1 SUBSTITUTED IMIDAZO[1,2-a]PYRAZINES AS LUCIFERASE SUBSTRATES PGLS, AADAC, GLB1 CYP3A4 2233/4885CYP2D6 1160/4885SLC6A2 3160/4885
US-20080182837-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 CYP3A4 671/4885CYP2D6 429/4885SLC6A2 2002/4885
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor APLNR, AGTR1, AGTR2 CYP3A4 2488/4885CYP2D6 953/4885SLC6A2 2360/4885

“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.