SCHEMBL13711973

SCHEMBL13711973

COc1cccc(N2CCN(CCN3CCN(c4cccc(Cl)c4)CC3)CC2)c1

nearest known ligand 0.87

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.87
MAPT P10636 2/20 0.74
TSHR P16473 1/20 0.74
DRD2 P14416 1/20 0.72
DRD4 P21917 1/20 0.69
KDM4E B2RXH2 1/20 0.69
ALDH1A1 P00352 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
THRB P10828 1/20 0.64
ABCB1 P08183 2/20 0.63
LMNA P02545 1/20 0.61
CACNA1G O43497 1/20 0.61

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
SCHEMBL4524281 0.93 KCNH2 (1.00) KCNH2MAPTTSHRDRD2DRD4
SCHEMBL27294747 0.85 DRD2 (0.76) KCNH2MAPTTSHRDRD2DRD4
SCHEMBL13711970 0.84 KCNH2 (0.74) KCNH2MAPTTSHRDRD2DRD4
SCHEMBL6583198 0.84 KCNH2 (0.78) KCNH2MAPTTSHRDRD2KDM4E
SCHEMBL4525293 0.84 KCNH2 (1.00) KCNH2DRD2DRD4
SCHEMBL14340514 0.84 DRD2 (1.00) KCNH2MAPTTSHRDRD2DRD4
SCHEMBL7350903 0.83 KCNH2 (0.76) KCNH2MAPTTSHRDRD2
SCHEMBL10835591 0.83 KCNH2 (0.81) KCNH2MAPTTSHRDRD2DRD4
SCHEMBL15743241 0.82 KCNH2 (0.76) KCNH2MAPTTSHRDRD2DRD4
SCHEMBL13711969 0.82 KCNH2 (0.70) KCNH2

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-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-09-24 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-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility HTR2C, HTR2A, DRD2 KCNH2 769/4885MAPT 2081/4885TSHR 262/4885

“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.