SCHEMBL1014405

SCHEMBL1014405

CN(C(=O)O)C1C2CN(Cc3ccccc3)CC21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.53
S1PR5 Q9H228 3/20 0.50
S1PR1 P21453 1/20 0.50
BCHE P06276 3/20 0.47
GBA1 P04062 1/20 0.46
ACHE P22303 3/20 0.45
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
OPRM1 P35372 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GRIN2B Q13224 1/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL7242578 0.85 FUCA1 (0.50) FUCA1S1PR5S1PR1BCHEACHE
SCHEMBL14260171 0.82 FUCA1 (0.51) FUCA1S1PR5S1PR1GBA1ACHE
SCHEMBL13102907 0.82 FUCA1 (0.51) FUCA1S1PR5S1PR1GBA1ACHE
SCHEMBL3613499 0.82 FUCA1 (0.51) FUCA1S1PR5S1PR1GBA1ACHE
SCHEMBL3617880 0.81 S1PR5 (0.47) FUCA1S1PR5S1PR1BCHEACHE
SCHEMBL2692744 0.81 S1PR5 (0.47) FUCA1S1PR5S1PR1BCHEACHE
SCHEMBL2692741 0.81 S1PR5 (0.47) FUCA1S1PR5S1PR1BCHEACHE
SCHEMBL2692748 0.81 S1PR5 (0.47) FUCA1S1PR5S1PR1BCHEACHE
SCHEMBL8168773 0.78 FUCA1 (0.50) FUCA1S1PR5S1PR1BCHEGBA1
SCHEMBL1220330 0.77 OPRM1 (0.59) BCHEACHEDRD2HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932246-B2 Histone deacetylase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-04-26 US disclosed
EP-1881977-B1 HISTONE DEACETYLASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-01-05 EP disclosed
US-20100152155-A1 Histone Deacetylase Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2010-06-17 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-20100152155-A1 Histone Deacetylase Inhibitors HDAC1, HDAC2, HDAC11 FUCA1 3035/4885S1PR5 4496/4885S1PR1 4167/4885

“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.