SCHEMBL6100478

SCHEMBL6100478

CCC1CCc2sccc2C1=O

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.47
NOS2 P35228 1/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
KMT2A Q03164 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
SCHEMBL3842816 0.87 HTR2C (0.51) HTR2CNOS2DRD2DRD3
SCHEMBL6196420 0.80 HTR2C (0.45) HTR2CNOS2
SCHEMBL15606087 0.79 CYP19A1 (0.50) HTR2C
SCHEMBL9385024 0.79 HTR2C (0.47) HTR2C
SCHEMBL6198185 0.79 HTR2C (0.43) HTR2CNOS2
SCHEMBL6101157 0.77 HTR2C (0.39) HTR2CNOS2
SCHEMBL6624316 0.76 HTR2C (0.49) HTR2CNOS2
SCHEMBL4805805 0.73 HTR2C (0.39) HTR2CNOS2
SCHEMBL23460078 0.71 KDM4E (0.50) HTR2CKMT2A
SCHEMBL1339830 0.70 HTR2C (0.38) HTR2C

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008022365-A2 COMPOSITIONS FOR INFLUENCING THE EFFECTS OF ORGANOPHOSPHORUS COMPOUNDS AND USE OF GALANTHAMINE, ITS DERIVATIVES AND ANALOGUES FOR PRODUCING SUCH COMPOSITIONS SANOCHEMIA LTD. (MT) 2008-02-28 WO disclosed
US-7041672-B2 Substituted aryl 1, 4-pyrazine derivatives PFIZER INC. (US) 2006-05-09 US disclosed
US-6992087-B2 Substituted aryl 1,4-pyrazine derivatives PFIZER INC (US) 2006-01-31 US disclosed
US-20050049257-A1 Substituted aryl 1, 4-pyrazine derivatives PFIZER INC 2005-03-03 US disclosed
EP-1446387-A1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2004-08-18 EP disclosed
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives PHARMACIA & UPJOHN COMPANY 2003-07-31 US disclosed
WO-2003045924-A1 SUBSTITUTED ARYL 1,4-PYRAZINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-05 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 (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-20050049257-A1 Substituted aryl 1, 4-pyrazine derivatives HTR2C, HTR4, HTR5A HTR2C 1/4885NOS2 4240/4885DRD2 33/4885
US-20030144297-A1 Substituted aryl 1,4-pyrazine derivatives HTR2C, HTR4, HTR5A HTR2C 1/4885NOS2 4240/4885DRD2 33/4885

“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.