SCHEMBL13858982

SCHEMBL13858982

COc1cccc(CC2CN(C(C)C)CCN2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.47
SLC6A2 P23975 1/20 0.47
EED O75530 2/20 0.45
SIGMAR1 Q99720 2/20 0.43
HTR1A P08908 1/20 0.43
TAAR1 Q96RJ0 2/20 0.43
HRH3 Q9Y5N1 1/20 0.41
CHRM4 P08173 2/20 0.41
DRD2 P14416 2/20 0.41
HTR7 P34969 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TACR1 P25103 1/20 0.40

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
SCHEMBL13859074 0.86 CARM1 (0.41) HRH3DRD2TACR1
SCHEMBL13859076 0.84 POLB (0.41) SLC6A4SLC6A2HRH3ALDH1A1TACR1
SCHEMBL13859079 0.82 PLG (0.42) SLC6A4SLC6A2TAAR1DRD2ALDH1A1
SCHEMBL14983613 0.82 POLB (0.47) SLC6A4SLC6A2HRH3
SCHEMBL14983612 0.82 POLB (0.47) SLC6A4SLC6A2HRH3
SCHEMBL13858858 0.82 POLB (0.47) SLC6A4SLC6A2HRH3
SCHEMBL23222258 0.80 SLC6A4 (0.45) SLC6A4SLC6A2EEDSIGMAR1HTR1A
SCHEMBL13858911 0.80 HTR2B (0.47) SLC6A4SLC6A2SIGMAR1HTR1AKDM4E
SCHEMBL19049075 0.79 CCR3 (0.51) SLC6A4EEDSIGMAR1HTR1AKDM4E
SCHEMBL4281534 0.79 CCR3 (0.49) SLC6A4EEDSIGMAR1HTR1AKDM4E

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 SLC6A4 4296/4885SLC6A2 3908/4885EED 4324/4885

“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.