SCHEMBL5423719

SCHEMBL5423719

Cc1cccc(C)c1C1CCN(Cc2c(-c3ccccc3)[nH]c3cc(C#N)ccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.47
TLR9 Q9NR96 5/20 0.46
DRD4 P21917 5/20 0.46
TLR7 Q9NYK1 2/20 0.44
POLB P06746 1/20 0.42
DRD2 P14416 4/20 0.41
HTR2C P28335 1/20 0.41
KCNH2 Q12809 1/20 0.41
AKT1 P31749 3/20 0.41
AKT2 P31751 2/20 0.41
DRD3 P35462 4/20 0.39
TLR8 Q9NR97 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38

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
Hydrochloric Acid SCHEMBL5423933 0.99 HTR2A (0.46) HTR2ATLR9DRD4TLR7POLB
SCHEMBL5434438 0.86 HTR2A (0.62) HTR2ATLR9POLBDRD2HTR2C
SCHEMBL5434473 0.80 HTR2A (0.47) HTR2ATLR9TLR7POLBDRD2
SCHEMBL5423746 0.80 OPRM1 (0.57) HTR2ATLR9DRD4TLR7POLB
SCHEMBL5421052 0.80 HTR2A (0.52) HTR2ATLR9DRD4TLR7POLB
Hydrochloric Acid SCHEMBL5417603 0.79 HTR2A (0.51) HTR2ATLR9DRD4TLR7POLB
SCHEMBL5420550 0.78 HTR2A (0.52) HTR2ADRD4DRD2HTR2CKCNH2
SCHEMBL5424650 0.78 HTR2A (0.55) HTR2ATLR9DRD4DRD2HTR2C
SCHEMBL5425307 0.78 HTR1A (0.51) HTR2ATLR9DRD4TLR7POLB
SCHEMBL5419291 0.77 TLR9 (0.54) HTR2ATLR9DRD4TLR7DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197603-A1 Substituted indole ligands for the orl-1 receptor GLAXOSMITHKLINE S.P.A. (IT) 2007-08-23 US claimed
US-20070197603-A1 Substituted indole ligands for the orl-1 receptor GLAXOSMITHKLINE S.P.A. (IT) 2007-08-23 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-20070197603-A1 Substituted indole ligands for the orl-1 receptor OGFRL1, OPRL1, ORMDL3 HTR2A 147/4885TLR9 715/4885DRD4 395/4885

“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.