SCHEMBL4136740

SCHEMBL4136740

COc1ccc(-c2ccc3c(c2)CCC(N2CCCC2C)C3)c(OC)c1OC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.39
DRD1 P21728 5/20 0.35
DRD2 P14416 4/20 0.35
F3 P13726 3/20 0.35
SIGMAR1 Q99720 2/20 0.35
DRD3 P35462 2/20 0.35
CYP3A4 P08684 1/20 0.35
DRD5 P21918 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
ABCB1 P08183 1/20 0.34

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
SCHEMBL4142012 0.86 PDK1 (0.43) ADORA1CYP3A4LMNATSHRALDH1A1
SCHEMBL4152825 0.86 L3MBTL1 (0.38) ADORA1TSHRALDH1A1ABCB1
SCHEMBL4152600 0.86 PDE4B (0.40) TSHRALDH1A1MAPK1
SCHEMBL4135614 0.85 PDK1 (0.45) LMNATSHRALDH1A1ABCB1
SCHEMBL4139976 0.85 PDK1 (0.35) CYP3A4TSHRALDH1A1MAPK1
SCHEMBL4145213 0.85 ADORA1 (0.42) ADORA1DRD1DRD2F3SIGMAR1
SCHEMBL4140663 0.84 HTR2C (0.42) ALDH1A1
SCHEMBL4135531 0.84 S1PR1 (0.42) LMNATSHRALDH1A1
SCHEMBL4145313 0.84 CRHBP (0.44) SIGMAR1CYP3A4ALDH1A1
SCHEMBL4139873 0.83 NAAA (0.46) CYP3A4ALDH1A1MAPK1

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 ADORA1 331/4885DRD1 251/4885DRD2 197/4885

“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.