SCHEMBL608454

SCHEMBL608454

CC(C)C(N)(c1ccccc1)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.54
CYP1A2 P05177 1/20 0.54
KCNN4 O15554 4/20 0.50
MAPK1 P28482 1/20 0.44
TAAR1 Q96RJ0 1/20 0.41
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
KIF11 P52732 1/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2C19 P33261 2/20 0.37
HIF1A Q16665 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL23222053 0.82 CYP1A2 (0.42) CYP2D6CYP1A2KCNN4MAPK1KIF11
SCHEMBL11052947 0.80 KCNN4 (0.46) CYP2D6CYP1A2KCNN4MAPK1TAAR1
SCHEMBL6542251 0.79 CYP2D6 (0.54) CYP2D6CYP1A2KCNN4MAPK1TAAR1
SCHEMBL16033928 0.78 MEN1 (0.46) CYP2D6CYP1A2KCNN4MAPTKMT2A
SCHEMBL999658 0.77 CYP1A2 (0.52) CYP2D6CYP1A2KCNN4MAPK1TAAR1
SCHEMBL7226298 0.77 ALDH1A1 (0.40) CYP2D6CYP1A2MAPK1MAPTKMT2A
SCHEMBL3660630 0.76 TAAR1 (0.48) CYP2D6CYP1A2KCNN4MAPK1TAAR1
SCHEMBL3819639 0.75 CYP1A2 (0.32) CYP2D6CYP1A2
SCHEMBL9363854 0.75 CYP2D6 (0.55) CYP2D6CYP1A2KCNN4MAPK1TAAR1
SCHEMBL6470482 0.74 CYP2C19 (0.55) CYP2D6CYP1A2KCNN4MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11996557-B2 Direct regeneration of lithium ion cathodes by ionothermal relithiation UT-BATTELLE, LLC (US) 2024-05-28 US disclosed
US-20220376240-A1 DIRECT REGENERATION OF LITHIUM ION CATHODES BY IONOTHERMAL RELITHIATION U. S. DEPARTMENT OF ENERGY 2022-11-24 US disclosed
EP-3313396-B1 G PROTEIN-COUPLED RECEPTOR KINASE INHIBITORS AND METHODS FOR USE OF THE SAME UNIV MICHIGAN REGENTS (US) 2021-12-15 EP disclosed
US-11186893-B2 Rare earth amide compositions UT-BATTELLE, LLC (US) 2021-11-30 US disclosed
CN-111620914-B Side-arm metallocene tetravalent transition metal complex containing neutral benzyl heteroatom ligand and application thereof 吉林大学 2021-03-19 CN disclosed
US-20200370144-A1 METHODS FOR LIQUID EXTRACTION OF RARE EARTH METALS USING IONIC LIQUIDS UT-BATTELLE, LLC (US) 2020-11-26 US disclosed
CN-111620914-A Side-arm metallocene tetravalent transition metal complex containing neutral benzyl heteroatom ligand and application thereof 吉林大学 2020-09-04 CN disclosed
US-10689727-B2 Methods for liquid extraction of rare earth metals using ionic liquids UT-BATTELLE, LLC (US) 2020-06-23 US disclosed
US-10329283-B2 G protein-coupled receptor kinase inhibitors and methods for use of the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-06-25 US disclosed
US-20180186779-A1 G PROTEIN-COUPLED RECEPTOR KINASE INHIBITORS AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2018-07-05 US disclosed
US-6372909-B1 REACTING 3-PHENYLETHYL-2-PYRIDINECARBOXAMIDE WITH DEHYDRATING AGENT TO CYCLIZE AND FORM TRICYCLIC IMINE, HYDROLYZING TO FORM TRICYCLIC KETONE SCHERING CORPORATION 2002-04-16 US disclosed
EP-1131296-A2 SYNTHESIS OF INTERMEDIATES USEFUL IN PREPARING TRICYCLIC COMPOUNDS SCHERING CORPORATION (US) 2001-09-12 EP disclosed
WO-2000030589-A2 SYNTHESIS OF INTERMEDIATES USEFUL IN PREPARING TRICYCLIC COMPOUNDS SCHERING CORPORATION (US) 2000-06-02 WO disclosed
EP-0196484-B1 PRESSURE SENSITIVE MANIFOLD SHEET KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1990-05-09 EP disclosed
US-4704379-A Pressure sensitive manifold sheet KANZAKI PAPER MANUFACTURING CO. LTD. (JP) 1987-11-03 US disclosed
EP-0196484-A1 Pressure sensitive manifold sheet KANZAKI PAPER MANUFACTURING COMPANY LIMITED (JP) 1986-10-08 EP disclosed
US-4559332-A 20-Spiroxanes and analogues having an open ring E, processes for their manufacture, and pharmaceutical preparations thereof CIBA GEIGY CORPORATION (US) 1985-12-17 US disclosed
EP-0003383-B1 4-AMINO-3-SULFONAMIDO PYRIDINE DERIVATIVES A. CHRISTIAENS SOCIETE ANONYME (BE) 1983-02-09 EP disclosed
EP-0003383-A2 4-Amino-3-sulfonamido pyridine derivatives A. CHRISTIAENS SOCIETE ANONYME (BE) 1979-08-08 EP disclosed
US-4069252-A Process for the preparation of certain acyl cyanide compounds BAYER AKTIENGESELLSCHAFT (DT) 1978-01-17 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 (2 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-10329283-B2 G protein-coupled receptor kinase inhibitors and methods for use of the same GRK2, GRK4, GRK3 CYP2D6 4363/4885CYP1A2 4352/4885KCNN4 1009/4885
US-20180186779-A1 G PROTEIN-COUPLED RECEPTOR KINASE INHIBITORS AND METHODS FOR USE OF THE SAME GRK2, GRK4, GRK3 CYP2D6 4363/4885CYP1A2 4352/4885KCNN4 1009/4885

“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.