SCHEMBL6107900

SCHEMBL6107900

CC(=O)Nc1c(C)cccc1CCN1CCN(c2nsc3ccccc23)CC1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 14/20 0.59
DRD2 P14416 13/20 0.59
HTR1A P08908 4/20 0.58
DRD3 P35462 1/20 0.55
KCNH2 Q12809 2/20 0.55

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
SCHEMBL6106828 0.84 HTR2A (0.57) HTR2ADRD2HTR1ADRD3KCNH2
SCHEMBL6108491 0.83 HTR2A (0.56) HTR2ADRD2HTR1A
SCHEMBL6107159 0.82 HTR2A (0.58) HTR2ADRD2HTR1ADRD3KCNH2
SCHEMBL6105566 0.81 DRD2 (0.54) HTR2ADRD2HTR1ADRD3
SCHEMBL6105394 0.81 HCAR2 (0.58) HTR2ADRD2HTR1ADRD3
SCHEMBL6105453 0.81 HTR2A (0.53) HTR2ADRD2
SCHEMBL6104780 0.81 DRD2 (0.52) HTR2ADRD2HTR1A
SCHEMBL6105340 0.81 HTR2A (0.59) HTR2ADRD2HTR1ADRD3
SCHEMBL6108171 0.81 HTR1A (0.73) HTR2ADRD2HTR1ADRD3KCNH2
SCHEMBL6104664 0.80 HTR1A (0.63) HTR2ADRD2HTR1AKCNH2

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-7101886-B2 Phenylalkyl and pyridylalkyl piperazine derivatives WARNER LAMBERT COMPANY (US) 2006-09-05 US disclosed
US-20040186108-A1 Phenylalkyl and pyridylalkyl piperazine derivatives CHO STEPHEN SUNG YONG (US) 2004-09-23 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-20040186108-A1 Phenylalkyl and pyridylalkyl piperazine derivatives CNR1, CNR2, PMP22 HTR2A 61/4885DRD2 45/4885HTR1A 23/4885

“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.