SCHEMBL5017875

SCHEMBL5017875

c1ccc2c(c1)C1CCC2NC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
PRCP P42785 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
HTR2C P28335 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
SCHEMBL21912179 1.00 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3PRCP
SCHEMBL13116608 0.88 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL30886529 0.80 CHRNB4 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3GRIN2D
SCHEMBL30801153 0.79 HTR2C (0.57) HTR2C
SCHEMBL13116604 0.77 CHRNB4 (0.59) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2061331 0.77 CHRNB4 (0.73) CHRNB2CHRNA4CHRNB4CHRNA3HTR2C
SCHEMBL23323069 0.75 CHRM5 (0.46) CHRNB2CHRNA4HTR2C
SCHEMBL22165432 0.75 CHRM5 (0.46) CHRNB2CHRNA4HTR2C
SCHEMBL22165430 0.75 CHRM5 (0.46) CHRNB2CHRNA4HTR2C
SCHEMBL29747061 0.75 CHRM5 (0.46) CHRNB2CHRNA4HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239777-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-07-18 US disclosed
US-20240239775-A1 FXR REGULATOR, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF BEIJING BEST PATHWAY MANAGEMENT CONSULTING CENTER (LIMITED PARTNERSHIP) (CN) 2024-07-18 US disclosed
US-20240239775-A1 FXR REGULATOR, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF BEIJING BEST PATHWAY MANAGEMENT CONSULTING CENTER (LIMITED PARTNERSHIP) (CN) 2024-07-18 US disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
US-20240216516-A1 GLUTARIMIDE-CONTAINING KRAS-MUTANT DEGRADER COMPOUNDS AND USES THEREOF TIGER BIOTHERAPEUTICS INC. 2024-07-04 US disclosed
US-20240217972-A1 GLUTARIMIDE-CONTAINING PAN-KRAS-MUTANT DEGRADER COMPOUNDS AND USES THEREOF TIGER BIOTHERAPEUTICS INC. 2024-07-04 US disclosed
US-20240207192-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING A PIPERIDINYL-METHYL-PURINE AMINE AND THEIR USE IN TREATING DISEASES AND CONDITIONS K36 THERAPEUTICS, INC. 2024-06-27 US disclosed
US-20240208961-A1 EIF4E INHIBITORS AND USES THEREOF PIC Therapeutics, Inc. 2024-06-27 US disclosed
US-20240066040-A1 EP4 INHIBITORS AND USE THEREOF ARRYS THERAPEUTICS INC (US) 2024-02-29 US disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-20100041674-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-02-18 US disclosed
US-20100041674-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-02-18 US disclosed
US-20090306085-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-12-10 US disclosed
US-20090306085-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-12-10 US disclosed
US-20090176858-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-07-09 US disclosed
US-20080234303-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER INC 2008-09-25 US disclosed
US-20080234303-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER INC 2008-09-25 US disclosed
EP-1592684-B1 MALONAMIDE DERIVATIVES AS GAMMA-SECRETASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-07-30 EP disclosed
US-7375099-B2 secretase inhibitors; therapy for Alzheimer's disease HOFFMANN-LA ROCHE INC. (US) 2008-05-20 US disclosed
US-20040220222-A1 Malonamide derivatives F. HOFFMAN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-11-04 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 (14 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-20240216516-A1 GLUTARIMIDE-CONTAINING KRAS-MUTANT DEGRADER COMPOUNDS AND USES THEREOF KRAS, VHL, HRAS CHRNB2 4769/4885CHRNA4 4867/4885CHRNB4 4823/4885
US-20240207192-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING A PIPERIDINYL-METHYL-PURINE AMINE AND THEIR USE IN TREATING DISEASES AND CONDITIONS NSD2, AMPD2, NSD1 CHRNB2 2903/4885CHRNA4 2650/4885CHRNB4 3489/4885
US-20040220222-A1 Malonamide derivatives BACE1, BACE2, APP CHRNB2 1039/4885CHRNA4 485/4885CHRNB4 1049/4885
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 CHRNB2 933/4885CHRNA4 1024/4885CHRNB4 985/4885
US-20090176858-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC CHRNB2 4882/4885CHRNA4 4876/4885CHRNB4 4878/4885
US-20240208961-A1 EIF4E INHIBITORS AND USES THEREOF EIF4E, EIF4EBP1, EIF4A1 CHRNB2 4857/4885CHRNA4 4876/4885CHRNB4 4854/4885
US-20080234303-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH CCNB1, TYMS, CCNA1 CHRNB2 4612/4885CHRNA4 4635/4885CHRNB4 4782/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 CHRNB2 3697/4885CHRNA4 4574/4885CHRNB4 4087/4885
US-20240239775-A1 FXR REGULATOR, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF SLC10A1, NR1H4, FXR1 CHRNB2 4324/4885CHRNA4 4050/4885CHRNB4 3900/4885
US-20240239777-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CHRNB2 4503/4885CHRNA4 4510/4885CHRNB4 4564/4885
US-20240217972-A1 GLUTARIMIDE-CONTAINING PAN-KRAS-MUTANT DEGRADER COMPOUNDS AND USES THEREOF KRAS, VHL, HRAS CHRNB2 4789/4885CHRNA4 4855/4885CHRNB4 4840/4885
US-20090306085-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC CHRNB2 4882/4885CHRNA4 4876/4885CHRNB4 4878/4885
US-20100041674-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC CHRNB2 4882/4885CHRNA4 4876/4885CHRNB4 4878/4885
US-20240066040-A1 EP4 INHIBITORS AND USE THEREOF PTGER4, EPB41, PTGER1 CHRNB2 4527/4885CHRNA4 2713/4885CHRNB4 2777/4885

“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.