SCHEMBL646841

SCHEMBL646841

NC12CC3CC(CC1C3)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.56
GRIN3B O60391 3/20 0.56
GRIN1 Q05586 3/20 0.56
GRIN2A Q12879 3/20 0.56
GRIN2B Q13224 3/20 0.56
GRIN2C Q14957 3/20 0.56
GRIN3A Q8TCU5 3/20 0.56
LMNA P02545 2/20 0.56
SLC22A2 O15244 2/20 0.56
SLC47A1 Q96FL8 2/20 0.56
SLC22A1 O15245 1/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
STAT6 P42226 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
POLB P06746 1/20 0.53
THRB P10828 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL15009468 1.00 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL15009467 1.00 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL2161255 0.97 LMNA (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11888287 0.78
SCHEMBL6860339 0.73 LMNA (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Amantadine SCHEMBL4098 0.72 GRIN1 (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Amantadine SCHEMBL15532073 0.72 GRIN1 (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Amantadine SCHEMBL15672299 0.72 GRIN1 (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Amantadine SCHEMBL21310017 0.72 GRIN1 (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Amantadine SCHEMBL21309814 0.72 GRIN1 (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139328-A2 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS Janssen Pharmaceutica, N.V. (BE) 2010-01-06 EP claimed
EP-2026798-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING CBX CANNABINOID RECEPTOR MODULATORS AND POTASSIUM CHANNEL MODULATORS Solvay Pharmaceuticals GmbH (DE) 2009-02-25 EP claimed
EP-2012775-A1 USE OF CBX CANNABINOID RECEPTOR MODULATORS AS POTASSIUM CHANNEL MODULATORS Solvay Pharmaceuticals GmbH (DE) 2009-01-14 EP claimed
WO-2008115705-A2 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-25 WO claimed
US-20080070968-A1 Hexahydro-Cycloheptapyrazole Cannabinoid Modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-20 US claimed
WO-2007125049-A1 USE OF CBX CANNABINOID RECEPTOR MODULATORS AS POTASSIUM CHANNEL MODULATORS SOLVAY PHARMACEUTICALS GMBH (DE) 2007-11-08 WO claimed
WO-2007125048-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING CBX CANNABINOID RECEPTOR MODULATORS AND POTASSIUM CHANNEL MODULATORS SOLVAY PHARMACEUTICALS GMBH (DE) 2007-11-08 WO claimed
US-20070254863-A1 Use of CBx cannabinoid receptor modulators as potassium channel modulators SOLVAY PHARMACEUTICALS GMBH (DE) 2007-11-01 US claimed
US-20070254862-A1 Pharmaceutical compositions comprising CBx cannabinoid receptor modulators and potassium channel modulators SOLVAY PHARMACEUTICALS GMBH (DE) 2007-11-01 US claimed
US-5981139-A INCLUDE A PHOTOSENSITIVE ACID GENERATOR, A POLYHYDROXY-FUNCTIONAL RESIN COMPONENT AND AN ALIPHATIC AMINE; PROVIDE ACCURATE PHOTORESIST PATTERN SHAPE SONY CORPORATION (JP) 1999-11-09 US claimed
WO-2024107979-A1 BIO-BASED SOLVENTS FOR NEGATIVE TONE DEVELOPMENT HUSTAD PHILLIP DENE (US) 2024-05-23 WO disclosed
WO-2023072969-A1 IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 PERHA PHARMACEUTICALS (FR) 2023-05-04 WO disclosed
WO-2023072966-A1 IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 PERHA PHARMACEUTICALS (FR) 2023-05-04 WO disclosed
EP-4173675-A1 IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 Perha Pharmaceuticals (FR) 2023-05-03 EP disclosed
EP-4173674-A1 IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 Perha Pharmaceuticals (FR) 2023-05-03 EP disclosed
WO-1994020465-A1 INDOLE DERIVATIVES AS ANTAGONISTS OF EXCITATORY AMINO ACIDS GLAXO S.P.A. (IT) 1994-09-15 WO disclosed
US-5175159-A Prevention of premature labor MERCK & CO., INC. (US) 1992-12-29 US disclosed
EP-0421802-A2 3-substituted-1,4-benzodiazepines useful as oxytocin antagonists MERCK & CO. INC. (US) 1991-04-10 EP disclosed
US-4921958-A ANXIOLYTIC AGENTS, ANTIDEPRESSANTS, ANTIPSYCHOTIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1990-05-01 US disclosed
US-4882432-A ANTIDEPRESSANT, ANTIPSYCHOTIC AMERICAN HOME PRODUCTS CORPORATION (US) 1989-11-21 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 (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-20070254863-A1 Use of CBx cannabinoid receptor modulators as potassium channel modulators CNR2, CNR1, KCNN1 GRIN2D 865/4885GRIN3B 447/4885GRIN1 360/4885
US-20080070968-A1 Hexahydro-Cycloheptapyrazole Cannabinoid Modulators CNR2, CNR1, FAAH GRIN2D 217/4885GRIN3B 132/4885GRIN1 98/4885
US-20070254862-A1 Pharmaceutical compositions comprising CBx cannabinoid receptor modulators and potassium channel modulators CNR1, CNR2, KCNJ11 GRIN2D 681/4885GRIN3B 379/4885GRIN1 381/4885

“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.