SCHEMBL7090551

SCHEMBL7090551

Cc1cccc(C)c1OCCN1CCN(c2cccc3[nH]ccc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.58
DRD2 P14416 4/20 0.55
DRD3 P35462 2/20 0.55
DRD4 P21917 1/20 0.55
HTR2A P28223 3/20 0.54
HTR7 P34969 2/20 0.54
HTR1A P08908 1/20 0.52
MAPT P10636 1/20 0.51
ADRB1 P08588 1/20 0.50
HTR6 P50406 1/20 0.50
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GFER P55789 1/20 0.46
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
GOT1 P17174 1/20 0.44
ADRA1A P35348 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
SCHEMBL2162517 0.83 DRD2 (0.64) GAADRD2DRD3DRD4HTR2A
SCHEMBL5117266 0.81 GAA (0.53) GAADRD2DRD3DRD4HTR2A
SCHEMBL5114515 0.81 GAA (0.54) GAADRD2DRD3DRD4HTR2A
SCHEMBL7094383 0.79 DRD2 (0.47) GAADRD2DRD3DRD4HTR2A
SCHEMBL7094166 0.78 DRD2 (0.54) GAADRD2DRD3DRD4HTR2A
SCHEMBL29046800 0.78 DRD2 (0.66) GAADRD2DRD3DRD4HTR2A
SCHEMBL7094783 0.78 DRD2 (0.59) GAADRD2DRD3DRD4HTR2A
SCHEMBL7090542 0.78 GAA (0.58) GAADRD2DRD3DRD4MAPT
SCHEMBL7534110 0.77 DRD2 (0.65) GAADRD2DRD3DRD4HTR2A
SCHEMBL5113532 0.77 DRD2 (0.65) GAADRD2DRD3DRD4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030050307-A1 Novel indole derivatives H. LUNDBECK A/S (DK) 2003-03-13 US claimed
US-20030050307-A1 Novel indole derivatives H. LUNDBECK A/S (DK) 2003-03-13 US disclosed
EP-1246818-A1 NOVEL INDOLE DERIVATIVES H. LUNDBECK A/S (DK) 2002-10-09 EP disclosed
WO-2001049680-A1 NOVEL INDOLE DERIVATIVES H. LUNDBECK A/S (DK) 2001-07-12 WO 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-20030050307-A1 Novel indole derivatives HTR1A, HTR3C, HTR2C GAA 4874/4885DRD2 27/4885DRD3 25/4885

“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.