SCHEMBL3620248

SCHEMBL3620248

[CH2]C1CC2CCC(C1)N2C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.55
LMNA P02545 1/20 0.55
SLC6A2 P23975 6/20 0.38
SLC6A3 Q01959 6/20 0.38
CHRM1 P11229 8/20 0.35
CHRM3 P20309 5/20 0.35
CHRM2 P08172 4/20 0.35
SLC6A4 P31645 4/20 0.35
DRD3 P35462 4/20 0.35
HRH1 P35367 2/20 0.35
ADRA2A P08913 2/20 0.35
DRD2 P14416 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
HRH2 P25021 2/20 0.35
ADRA1D P25100 2/20 0.35
HTR2A P28223 2/20 0.35
HTR6 P50406 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
CHRM4 P08173 1/20 0.35

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
SCHEMBL3438658 0.81
SCHEMBL278331 0.73
SCHEMBL13676319 0.73
SCHEMBL756764 0.73 CYP2C9 (0.57) CYP2C9LMNASLC6A2SLC6A3CHRM1
SCHEMBL736043 0.73 CYP2C9 (0.57) CYP2C9LMNASLC6A2SLC6A3CHRM1
SCHEMBL23100945 0.73 CYP2C9 (0.57) CYP2C9LMNASLC6A2SLC6A3CHRM1
SCHEMBL17399388 0.73 CYP2C9 (0.57) CYP2C9LMNASLC6A2SLC6A3CHRM1
SCHEMBL12463068 0.73 CYP2C9 (0.57) CYP2C9LMNASLC6A2SLC6A3CHRM1
SCHEMBL22631620 0.73 CYP2C9 (0.57) CYP2C9LMNASLC6A2SLC6A3CHRM1
SCHEMBL23101821 0.73 CYP2C9 (0.57) CYP2C9LMNASLC6A2SLC6A3CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662849-B2 Amidino compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2010-02-16 US claimed
US-20060264464-A1 Amidino compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2006-11-23 US claimed
EP-0085899-B1 PYRIDOBENZODIAZEPINONES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1986-10-29 EP claimed
EP-0085892-B1 SUBSTITUTED BENZODIAZEPINONES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1985-12-18 EP claimed
US-4447434-A ANTIULCER, ANTISECRETORY, OR ANTICHOLINERGIC AGENTS DR. KARL THOMAE GMBH (DE) 1984-05-08 US claimed
EP-0085899-A2 Pyridobenzodiazepinones, process for their preparation and pharmaceutical compositions containing them Dr. Karl Thomae GmbH (DE) 1983-08-17 EP claimed
EP-0085892-A1 Substituted benzodiazepinones, process for their preparation and medicines containing them Dr. Karl Thomae GmbH (DE) 1983-08-17 EP claimed
US-7662849-B2 Amidino compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2010-02-16 US disclosed
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-11-29 US disclosed
EP-1761485-A1 AMIDINO COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering AG (DE) 2007-03-14 EP disclosed
US-20060264464-A1 Amidino compounds as cysteine protease inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2006-11-23 US disclosed
US-7101880-B2 Peptidic compounds as cysteine protease inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-09-05 US disclosed
EP-1694357-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2006-08-30 EP disclosed
US-4447434-A ANTIULCER, ANTISECRETORY, OR ANTICHOLINERGIC AGENTS DR. KARL THOMAE GMBH (DE) 1984-05-08 US disclosed
US-4447434-A ANTIULCER, ANTISECRETORY, OR ANTICHOLINERGIC AGENTS DR. KARL THOMAE GMBH (DE) 1984-05-08 US disclosed
US-4424225-A ANTIULCER AGENTS DR. KARL THOMAE GMBH (DE) 1984-01-03 US disclosed
EP-0086982-A1 Substituted thienobenzodiazepinones, process for preparing them and medicines containing them Dr. Karl Thomae GmbH (DE) 1983-08-31 EP disclosed
EP-0085899-A2 Pyridobenzodiazepinones, process for their preparation and pharmaceutical compositions containing them Dr. Karl Thomae GmbH (DE) 1983-08-17 EP disclosed
EP-0085892-A1 Substituted benzodiazepinones, process for their preparation and medicines containing them Dr. Karl Thomae GmbH (DE) 1983-08-17 EP disclosed
EP-0085892-A1 Substituted benzodiazepinones, process for their preparation and medicines containing them Dr. Karl Thomae GmbH (DE) 1983-08-17 EP 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-20060264464-A1 Amidino compounds as cysteine protease inhibitors CTSF, CTSB, CTSS CYP2C9 1835/4885LMNA 1267/4885SLC6A2 4477/4885
US-20070276019-A1 Haloalkyl Containing Compounds as Cysteine Protease Inhibitors CTSF, CTSS, CTSE CYP2C9 2301/4885LMNA 2126/4885SLC6A2 3091/4885

“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.