SCHEMBL6843375

SCHEMBL6843375

CC[N+](C)(C)n1ccc2ccc(C3CCN(C)CC3)cc21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.43
DRD2 P14416 3/20 0.41
SLC6A4 P31645 1/20 0.41
HTR1D P28221 2/20 0.41
LSS P48449 1/20 0.36
ASAH1 Q13510 5/20 0.35
HTR6 P50406 3/20 0.34
DRD3 P35462 2/20 0.33
TLR9 Q9NR96 2/20 0.33
TLR8 Q9NR97 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
FAAH O00519 1/20 0.33
NAAA Q02083 1/20 0.33

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
SCHEMBL6782259 0.73 QDPR (0.48) QDPRDRD2SLC6A4HTR1DLSS
SCHEMBL6845639 0.72 HTR1D (0.43) HTR1DHTR6
SCHEMBL7253016 0.72 HTR1D (0.76) QDPRHTR1DLSSHTR6
SCHEMBL6845729 0.69 QDPR (0.47) QDPRHTR1D
SCHEMBL14571688 0.69 QDPR (0.53) QDPRDRD2SLC6A4LSSASAH1
SCHEMBL17683262 0.68 HTR1D (0.49) QDPRDRD2SLC6A4HTR1D
SCHEMBL10268348 0.67 SLC6A4 (0.69) QDPRDRD2SLC6A4LSSHTR6
SCHEMBL10004175 0.66 HTR6 (0.53) DRD2HTR6DRD3HRH3
SCHEMBL27878763 0.66 HTR1D (0.57) DRD2SLC6A4HTR1DDRD3
SCHEMBL15317630 0.64 QDPR (0.50) QDPRDRD2SLC6A4

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-20040167158-A1 Heterocyclic compounds for the treatment of migraine NPS ALLELIX BIOPHARMACEUTICALS, INC. (CA) 2004-08-26 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-20040167158-A1 Heterocyclic compounds for the treatment of migraine SCN7A, CNR2, HTR7 QDPR 495/4885DRD2 437/4885SLC6A4 631/4885

“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.