SCHEMBL8249779

SCHEMBL8249779

O=C(C[RaH])N1CCN(C2c3ccccc3Cc3ccccc32)CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
CACNA1G O43497 1/20 0.50
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL14079267 0.86 GAA (0.51) GAACACNA1GALDH1A1POLBNPSR1
SCHEMBL14079264 0.81 NOTUM (0.47) GAACACNA1GNPSR1
SCHEMBL5267462 0.73 CACNA1G (0.77) CACNA1G
SCHEMBL8245892 0.73 HTR2A (0.51) ALDH1A1KCNH2
SCHEMBL917328 0.72 NPSR1 (0.46) CACNA1GNPSR1
SCHEMBL28804531 0.71 CACNA1G (0.67) GAACACNA1GALDH1A1POLBNPSR1
SCHEMBL16210659 0.70 GAA (1.00) GAACACNA1GALDH1A1NPSR1
SCHEMBL8239748 0.68 TAAR1 (0.50)
SCHEMBL7682336 0.68 P2RX7 (0.52) ALDH1A1POLB
SCHEMBL5268034 0.67 CACNA1G (1.00) GAACACNA1GNPSR1

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-20080214570-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-09-04 US disclosed
US-20060084660-A1 Psychological disorders; analgesics; Parkinson's disease; antiepileptic agents; irritable bowel disorders; antiarrhythmia agents NEUROMED TECHNOLOGIES INC. 2006-04-20 US disclosed
US-20040259866-A1 Calcium channel blockers comprising two benzhydril moieties ZALICUS PHARMACEUTICALS LTD. (CA) 2004-12-23 US disclosed
US-20040209872-A1 Calcium channel blockers comprising two benzhydril moieties ZALICUS PHARMACEUTICALS LTD. (CA) 2004-10-21 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 (4 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-20040209872-A1 Calcium channel blockers comprising two benzhydril moieties CACNA1C, CACNA1F, CACNA1D GAA 1331/4885CACNA1G 5/4885ALDH1A1 1546/4885
US-20080214570-A1 Therapeutic Agents NLN, BDNF, GAP43 GAA 22/4885CACNA1G 1837/4885ALDH1A1 579/4885
US-20060084660-A1 Psychological disorders; analgesics; Parkinson's disease; antiepileptic agents; irritable bowel disorders; antiarrhythmia agents CACNA1D, CACNA1E, CACNA1B GAA 566/4885CACNA1G 14/4885ALDH1A1 903/4885
US-20040259866-A1 Calcium channel blockers comprising two benzhydril moieties CACNA1C, CACNA1F, CACNA1D GAA 1331/4885CACNA1G 5/4885ALDH1A1 1546/4885

“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.