SCHEMBL4932037

SCHEMBL4932037

Nc1ccccc1CCN1CCCC1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.67
HRH3 Q9Y5N1 4/20 0.62
SLC6A3 Q01959 1/20 0.55
KCNH2 Q12809 2/20 0.50
HTR2A P28223 1/20 0.46
LTA4H P09960 1/20 0.45
MBTD1 Q05BQ5 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL8673775 0.98 SIGMAR1 (0.65) SIGMAR1HRH3SLC6A3KCNH2HTR2A
Hydrochloric Acid SCHEMBL11093610 0.96 SIGMAR1 (0.63) SIGMAR1HRH3SLC6A3KCNH2HTR2A
SCHEMBL11337893 0.86 SIGMAR1 (0.60) SIGMAR1HRH3SLC6A3LTA4H
SCHEMBL7378053 0.85 SIGMAR1 (0.55) SIGMAR1HRH3SLC6A3KCNH2HTR2A
SCHEMBL2327709 0.85 HRH3 (0.59) SIGMAR1HRH3SLC6A3KCNH2HTR2A
SCHEMBL27907398 0.85 SIGMAR1 (0.67) SIGMAR1HRH3KCNH2HTR2A
SCHEMBL3718831 0.84 SIGMAR1 (0.60) SIGMAR1HRH3KCNH2L3MBTL1
SCHEMBL10731021 0.81 SIGMAR1 (0.66) SIGMAR1KCNH2HTR2A
SCHEMBL1641681 0.80 ALDH1A1 (0.58) SIGMAR1HRH3
Hydrochloric Acid SCHEMBL2429999 0.80 SIGMAR1 (0.56) SIGMAR1HRH3KCNH2HTR2A

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
CN-103153063-A Quinoline derivatives and MELK inhibitors containing the same ONCOTHERAPY SCIENCE INC 2013-06-12 CN disclosed
US-20080076774-A1 Kinase Modulators and Methods of Use EXELIXIS, INC. (US) 2008-03-27 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-20080076774-A1 Kinase Modulators and Methods of Use AKT3, RPS6KA3, CDK3 SIGMAR1 2358/4885HRH3 2081/4885SLC6A3 2695/4885

“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.