SCHEMBL4228563

SCHEMBL4228563

O=C(CN1CCc2ccccc2C1)N(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.53
CACNA1B Q00975 1/20 0.53
CACNB1 Q02641 1/20 0.53
CACNA1C Q13936 1/20 0.53
RAB9A P51151 1/20 0.53
GFER P55789 1/20 0.53
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 3/20 0.52
CASP1 P29466 1/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
MAPT P10636 1/20 0.51
HTR1A P08908 1/20 0.50
DRD2 P14416 1/20 0.50
HTR2A P28223 1/20 0.50
SLC6A4 P31645 1/20 0.50
HTR7 P34969 1/20 0.50
HRH1 P35367 1/20 0.50
DRD3 P35462 1/20 0.50

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
SCHEMBL5467799 0.84 CACNA2D1 (0.47) CACNA2D1CACNA1BCACNB1CACNA1CRAB9A
SCHEMBL5448603 0.83 ALDH1A1 (0.47) CACNA2D1CACNA1BCACNB1CACNA1CRAB9A
SCHEMBL5467654 0.82 MAPT (0.52) RAB9AGFERALDH1A1KDM4ECASP1
SCHEMBL3478431 0.81 ALDH1A1 (0.59) ALDH1A1KDM4ECASP1MEN1KMT2A
SCHEMBL5460735 0.80 CACNA2D1 (0.44) CACNA2D1CACNA1BCACNB1CACNA1CRAB9A
SCHEMBL5451862 0.80 DRD2 (0.49) CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1
SCHEMBL5461318 0.80 MEN1 (0.55) RAB9AGFERALDH1A1KDM4ECASP1
Hydrochloric Acid SCHEMBL7399479 0.80 ALDH1A1 (0.58) ALDH1A1KDM4ECASP1MEN1KMT2A
Hydrochloric Acid SCHEMBL1374318 0.80 ALDH1A1 (0.58) ALDH1A1KDM4ECASP1MEN1KMT2A
SCHEMBL7339023 0.77 CACNA2D1 (0.65) CACNA2D1CACNA1BCACNB1CACNA1CRAB9A

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
EP-2096104-A1 Organic diamines as mGluR7 modulators Novartis AG (CH) 2009-09-02 EP disclosed
US-20080242698-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 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-20080242698-A1 Organic Compounds AOC1, OTC, ODC1 CACNA2D1 1644/4885CACNA1B 2203/4885CACNB1 2610/4885

“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.