SCHEMBL6273473

SCHEMBL6273473

CN(C)C(=O)CC1Cc2ccccc2C1=O

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 6/20 0.63
ACHE P22303 7/20 0.50
CYP19A1 P11511 1/20 0.48
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
HTR2B P41595 1/20 0.43
HDAC1 Q13547 1/20 0.42
SIGMAR1 Q99720 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
SCHEMBL7305377 0.85 METAP1 (0.59) METAP1ACHECYP19A1HTR2CSIGMAR1
SCHEMBL30620900 0.84 HTR2A (0.54) METAP1ACHEHTR2A
SCHEMBL6273185 0.83 METAP1 (0.59) METAP1ACHECYP19A1HTR1ADRD2
SCHEMBL6272087 0.81 METAP1 (0.64) METAP1ACHECYP19A1
SCHEMBL6695612 0.81 METAP1 (0.57) METAP1ACHECYP19A1HTR1ADRD2
SCHEMBL6272440 0.80 METAP1 (0.65) METAP1ACHECYP19A1HTR1ADRD2
SCHEMBL6272068 0.80 HTR2C (0.47) METAP1ACHECYP19A1HTR1ADRD2
SCHEMBL7737589 0.79 METAP1 (0.52) METAP1ACHECYP19A1HTR1ADRD2
SCHEMBL9938389 0.79 METAP1 (0.55) METAP1ACHECYP19A1HTR1ADRD2
SCHEMBL31374607 0.79 METAP1 (0.55) METAP1ACHECYP19A1HTR1ADRD2

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
US-20050277645-A1 Sleep inducing compounds and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-12-15 US disclosed
WO-2005097093-A1 SLEEP INDUCING COMPOUNDS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2005-10-20 WO 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-20050277645-A1 Sleep inducing compounds and methods relating thereto CNR1, CNR2, MTNR1B METAP1 4516/4885ACHE 652/4885CYP19A1 395/4885

“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.