SCHEMBL11961587

SCHEMBL11961587

Cc1cnc2c(c1)CCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.47
ADRA2B P18089 3/20 0.47
ADRA2C P18825 3/20 0.47
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37
CDK5 Q00535 2/20 0.37
CDK5R1 Q15078 2/20 0.37
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
NPC1 O15118 3/20 0.35
KDM4E B2RXH2 1/20 0.35
RAB9A P51151 2/20 0.34
PRNP P04156 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL30666462 0.96 ADRA2A (0.51) ADRA2AADRA2BADRA2CCCNA2CDK2
SCHEMBL2666127 0.96 ADRA2A (0.51) ADRA2AADRA2BADRA2CCCNA2CDK2
SCHEMBL25771759 0.94 ADRA2A (0.50) ADRA2AADRA2BADRA2CCCNA2CDK2
SCHEMBL19909080 0.94 ADRA2A (0.50) ADRA2AADRA2BADRA2CCCNA2CDK2
SCHEMBL18949126 0.94 ADRA2A (0.50) ADRA2AADRA2BADRA2CCCNA2CDK2
SCHEMBL9652598 0.94 ADRA2A (0.50) ADRA2AADRA2BADRA2CCCNA2CDK2
SCHEMBL15316127 0.86
SCHEMBL15127497 0.85 ADRA2A (0.37) ADRA2AADRA2BADRA2CNPC1RAB9A
SCHEMBL11522118 0.80 ADRA2A (0.39) ADRA2AADRA2BADRA2CCCNA2CDK2
SCHEMBL15957829 0.79 ADRA2A (0.36) ADRA2AADRA2BADRA2CNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024076674-A1 HETEROCYCLIC INHIBITORS OF KRAS G12C MUTANT PROTEINS AND USES THEREOF AMGEN INC. (US) 2024-04-11 WO disclosed
US-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-10-05 US disclosed
US-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC 2023-06-15 US disclosed
US-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC 2023-06-15 US disclosed
EP-3215510-B1 SUBSTITUTED IMIDAZO[1,5-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2023-06-07 EP disclosed
EP-3436446-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2023-06-07 EP disclosed
WO-2023076218-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-05-04 WO disclosed
WO-2023023631-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2023-02-23 WO disclosed
WO-2023011629-A1 PYRROLIDONE DERIVATIVE AND USE THEREOF IN MEDICINE 成都百裕制药股份有限公司 2023-02-09 WO disclosed
US-20220393115-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF Beijing Summer Sprout Technology Co., Ltd. (CN) 2022-12-08 US disclosed
WO-2012150305-A1 NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]BENZO- DIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH HETEROCYCLIC DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2012-11-08 WO disclosed
US-20120202781-A1 INDANE DERIVATIVES MSD OSS B.V. (NL) 2012-08-09 US disclosed
WO-2011081174-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND AGRICULTURAL/HORTICULTURAL GERMICIDE 日本曹達株式会社 (JP) 2011-07-07 WO disclosed
US-20110092539-A1 INDANE DERIVATIVES AS AMPA RECEPTOR MODULATORS N.V. ORGANON (NL) 2011-04-21 US disclosed
US-20110009364-A1 AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 US disclosed
EP-2223919-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND BACTERICIDE FOR AGRICULTURAL AND HORTICULTURAL USE Nippon Soda Co., Ltd. (JP) 2010-09-01 EP disclosed
WO-2010026771-A1 NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF, AND BACTERICIDAL AGENT FOR AGRICULTURAL OR HORTICULTURAL APPLICATIONS 日本曹達株式会社 (JP) 2010-03-11 WO disclosed
WO-2009081579-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND BACTERICIDE FOR AGRICULTURAL AND HORTICULTURAL USE NIPPON SODA CO., LTD. (JP) 2009-07-02 WO disclosed
EP-2014168-A1 Insecticidal heterocyclic compounds Bayer CropScience AG (DE) 2009-01-14 EP disclosed
WO-2008155031-A1 HETEROCYCLIC COMPOUNDS FOR INSECTICIDES BAYER CROPSCIENCE AG (DE) 2008-12-24 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-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF CYP46A1, CYP26A1, CYP4A22 ADRA2A 615/4885ADRA2B 678/4885ADRA2C 845/4885
US-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL2 ADRA2A 3409/4885ADRA2B 2079/4885ADRA2C 3249/4885
US-20110009364-A1 AZABICYCLIC CARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF ZYX, XDH, ZFX ADRA2A 2673/4885ADRA2B 2301/4885ADRA2C 2766/4885
US-20120202781-A1 INDANE DERIVATIVES CHRNA5, CHRNA2, GRIK5 ADRA2A 67/4885ADRA2B 119/4885ADRA2C 79/4885
US-20220393115-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND DEVICE THEREOF LEF1, L1CAM, PIEZO1 ADRA2A 3937/4885ADRA2B 3753/4885ADRA2C 4162/4885
US-20110092539-A1 INDANE DERIVATIVES AS AMPA RECEPTOR MODULATORS GRIK5, GRIN3A, GRIK2 ADRA2A 133/4885ADRA2B 154/4885ADRA2C 135/4885

“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.