SCHEMBL4139976

SCHEMBL4139976

COc1ccc(C)cc1-c1ccc2c(c1)CCC(N1CCCC1C)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 2/20 0.35
PDK2 Q15119 2/20 0.35
PDK3 Q15120 2/20 0.35
PDK4 Q16654 2/20 0.35
MAPT P10636 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.34
BACE1 P56817 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 3/20 0.33
GAA P10253 2/20 0.33
S1PR1 P21453 1/20 0.33

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
SCHEMBL4135614 0.90 PDK1 (0.45) PDK1PDK2PDK3PDK4TSHR
SCHEMBL4135531 0.89 S1PR1 (0.42) SMN1; SMN2TSHRCCNT1CDK9ALDH1A1
SCHEMBL4140663 0.89 HTR2C (0.42) PDK1PDK2PDK3PDK4MAPT
SCHEMBL4142012 0.88 PDK1 (0.43) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL4145105 0.87 HRH3 (0.34) TSHR
SCHEMBL4135590 0.87 OTUD7B (0.41) PDK1PDK2PDK3PDK4MAPT
SCHEMBL4147732 0.86 ALDH1A1 (0.38) PDK1PDK2PDK3PDK4TSHR
SCHEMBL4145313 0.86 CRHBP (0.44) MAPTCRHBPCRHR2SMN1; SMN2ALDH1A1
SCHEMBL4152600 0.86 PDE4B (0.40) TSHRMAPK1ALDH1A1GAA
SCHEMBL4136740 0.85 ADORA1 (0.39) TSHRMAPK1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR MCHARDY STANTON FURST 2009-06-25 US claimed

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-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR HRH3, HRH4, HRH1 PDK1 3820/4885PDK2 2935/4885PDK3 2366/4885

“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.