SCHEMBL13859631

SCHEMBL13859631

CN1CCNC2(CCCCC2)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.38
SOS1 Q07889 1/20 0.32
SOS2 Q07890 1/20 0.32
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRND Q07001 1/20 0.31

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
SCHEMBL12926362 0.98 SIGMAR1 (0.36) SIGMAR1SOS1SOS2CHRNA1CHRNG
SCHEMBL12958765 0.93 SIGMAR1 (0.33) SIGMAR1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL90069 0.89
SCHEMBL15382218 0.85 CHRNA1 (0.36) SIGMAR1SOS1SOS2CHRNA1CHRNG
SCHEMBL10062590 0.85 CDC42BPB (0.34) SIGMAR1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL25049539 0.84 USP2 (0.33) SIGMAR1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL18968285 0.84 USP2 (0.33) SIGMAR1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL90414 0.83 CHRNB2 (0.41) SIGMAR1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL10062591 0.83 CHRNA1 (0.37) SIGMAR1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL21217000 0.83 ALDH1A1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654831-B2 Antiproliferative pyrimidine-based compounds G1 THERAPEUTICS, INC. (US) 2020-05-19 US disclosed
US-20190135784-A1 ANTIPROLIFERATIVE PYRIMIDINE-BASED COMPOUNDS G1 THERAPEUTICS, INC. (US) 2019-05-09 US disclosed
WO-2017040449-A1 TRIAZOLOPYRIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL-MYERS SQUIBB COMPANY (US) 2017-03-09 WO disclosed
US-7528132-B2 immunodeficiencies, cancers, cardiovascular diseases, endocrine disorders, Parkinson's disease, metabolic diseases, tumorigenesis, Alzheimer's disease, heart disease, diabetes, neurodegeneration, inflammation, kidney disease, atherosclerosis and airway disease; indazolyl [1,2,4]triazine compounds SCHERING CORPORATION (US) 2009-05-05 US disclosed
US-20080004257-A1 Kinase inhibitors SCHERING CORPORATION 2008-01-03 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-20190135784-A1 ANTIPROLIFERATIVE PYRIMIDINE-BASED COMPOUNDS MKI67, TYMS, TYMP SIGMAR1 4499/4885SOS1 906/4885SOS2 1034/4885
US-20080004257-A1 Kinase inhibitors MAP3K1, MAP3K13, MAP3K6 SIGMAR1 4090/4885SOS1 1907/4885SOS2 2967/4885
US-10654831-B2 Antiproliferative pyrimidine-based compounds MKI67, TYMS, TYMP SIGMAR1 4499/4885SOS1 906/4885SOS2 1034/4885

“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.