SCHEMBL13859079

SCHEMBL13859079

CC(C)N1CCNC(Cc2cccc(F)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.42
SLC6A3 Q01959 3/20 0.39
SLC6A2 P23975 1/20 0.39
CCR2 P41597 1/20 0.38
KCNH2 Q12809 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTR6 P50406 1/20 0.37
NPC1 O15118 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
MLNR O43193 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
TACR1 P25103 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL13859076 0.86 POLB (0.41) SLC6A3SLC6A2CCR2KCNH2ALDH1A1
SCHEMBL13858911 0.84 HTR2B (0.47) SLC6A2ALDH1A1LMNATACR1MEN1
SCHEMBL13859067 0.84 KCNH2 (0.38) PLGSLC6A3SLC6A2CCR2KCNH2
SCHEMBL14983613 0.84 POLB (0.47) SLC6A3SLC6A2CCR2KCNH2SLC6A4
SCHEMBL13858858 0.84 POLB (0.47) SLC6A3SLC6A2CCR2KCNH2SLC6A4
SCHEMBL14983612 0.84 POLB (0.47) SLC6A3SLC6A2CCR2KCNH2SLC6A4
SCHEMBL13859632 0.83 PLG (0.45) PLGSLC6A3SMN1; SMN2ALDH1A1MLNR
SCHEMBL13858982 0.82 SLC6A4 (0.47) SLC6A2ALDH1A1TAAR1TACR1DRD2
SCHEMBL13859074 0.81 CARM1 (0.41) KCNH2TACR1DRD2
SCHEMBL21169258 0.80 CA1 (0.43) PLGSLC6A3SLC6A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20080004257-A1 Kinase inhibitors MAP3K1, MAP3K13, MAP3K6 PLG 2134/4885SLC6A3 1839/4885SLC6A2 3908/4885

“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.