SCHEMBL1014404

SCHEMBL1014404

O=C(O)NCC1C2CN(Cc3ccccc3)CC12

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 3/20 0.50
S1PR1 P21453 1/20 0.50
FUCA1 P04066 2/20 0.49
NPY5R Q15761 1/20 0.46
FAAH O00519 1/20 0.44
DRD4 P21917 2/20 0.44
GRIN2B Q13224 1/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
KMT2A Q03164 1/20 0.44
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL4189224 0.85 GRIN2B (0.48) S1PR5S1PR1FUCA1DRD4GRIN2B
SCHEMBL5105573 0.83 CHRM3 (0.46) S1PR5S1PR1FUCA1NPY5R
SCHEMBL5105568 0.83 CHRM3 (0.46) S1PR5S1PR1FUCA1NPY5R
SCHEMBL8222010 0.82 NPFFR1 (0.49) S1PR5S1PR1DRD2KMT2ASIGMAR1
SCHEMBL4618464 0.81 S1PR1 (0.41) S1PR5S1PR1FUCA1NPY5R
SCHEMBL4686638 0.80 LMNA (0.60) KMT2A
SCHEMBL4687584 0.80 LMNA (0.60) KMT2A
SCHEMBL4241235 0.80 FAAH (0.49) S1PR5S1PR1FAAHDRD3
SCHEMBL4619124 0.80 S1PR5 (0.41) S1PR5S1PR1FUCA1NPY5R
SCHEMBL5099505 0.80 CHRM3 (0.45) S1PR5S1PR1FAAH

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 S1PR5 4496/4885S1PR1 4167/4885FUCA1 3035/4885

“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.