SCHEMBL6280170

SCHEMBL6280170

Cc1ccc2c(c1)CC(CCN(C)C)C2=O

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 9/20 0.72
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
CDK8 P49336 1/20 0.42
CDK5 Q00535 1/20 0.42
ACHE P22303 4/20 0.40
SIGMAR1 Q99720 1/20 0.38
CYP19A1 P11511 1/20 0.38

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
SCHEMBL14019342 0.81 METAP1 (0.61) METAP1THRATHRBACHESIGMAR1
SCHEMBL6271181 0.80 METAP1 (0.71) METAP1CDK8CDK5ACHECYP19A1
SCHEMBL6270614 0.80 METAP1 (0.71) METAP1CDK8CDK5ACHECYP19A1
SCHEMBL15617637 0.78 METAP1 (0.66) METAP1THRATHRBACHECYP19A1
SCHEMBL6272087 0.77 METAP1 (0.64) METAP1THRATHRBACHECYP19A1
SCHEMBL10269432 0.73 METAP1 (0.59) METAP1ACHESIGMAR1CYP19A1
SCHEMBL2484416 0.71 ACHE (0.73) METAP1ACHE
SCHEMBL25818510 0.70 METAP1 (0.41) METAP1CDK8CDK5ACHE
SCHEMBL20364987 0.70 DRD3 (0.76) METAP1ACHESIGMAR1
SCHEMBL5198123 0.70 METAP1 (0.62) METAP1THRBACHE

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 4516/4885THRA 168/4885THRB 196/4885

“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.