SCHEMBL4144409

SCHEMBL4144409

COc1ccc(C)cc1-c1ccc2c(c1)CCC(N1CCCC1)C2

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
DRD2 P14416 2/20 0.36
DRD1 P21728 2/20 0.36
MAPK1 P28482 1/20 0.36
HTR1D P28221 1/20 0.36
BACE1 P56817 1/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35

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
SCHEMBL4136905 0.87 HTR7 (0.44) ALDH1A1GAA
SCHEMBL4148484 0.86 LMNA (0.40) LMNAHTR1D
SCHEMBL4139976 0.85 PDK1 (0.35) TSHRALDH1A1GAAMAPK1BACE1
SCHEMBL4142775 0.85 PDE7A (0.42) ALDH1A1GAADRD2DRD1HTR1D
SCHEMBL4145213 0.84 ADORA1 (0.42) TSHRLMNAALDH1A1GAADRD2
SCHEMBL4664249 0.82 FYN (0.41) LMNADRD2DRD1HTR1D
SCHEMBL4136479 0.81 NAAA (0.51) ALDH1A1GAA
SCHEMBL13102476 0.81 LMNA (0.47) TSHRLMNAALDH1A1HTR1D
SCHEMBL4147542 0.80 SIGMAR1 (0.38) TSHRLMNADRD2DRD1HTR1D
SCHEMBL4136665 0.80 HTR1A (0.46) DRD2BACE1CCNT1CDK9

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 TSHR 154/4885LMNA 4576/4885ALDH1A1 1667/4885

“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.