SCHEMBL5221993

SCHEMBL5221993

CC(C)(C)C(=O)Nc1nc(OCCCCOC2CCCCO2)ccc1C=CCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4C Q9H3R0 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.32
ACACB O00763 1/20 0.31
CREBBP Q92793 1/20 0.31
P2RX3 P56373 3/20 0.31
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL5221815 0.88 MEN1 (0.44) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL5217496 0.82 MEN1 (0.45) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL5365329 0.81 KMT2A (0.44) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL5250541 0.76 MEN1 (0.47) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL5373958 0.69 MEN1 (0.46) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL5218282 0.68 FGFR1 (0.36) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL5217542 0.67 MEN1 (0.49) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL5372239 0.63 KDM4C (0.46) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL5363496 0.62 KDM4C (0.47) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL25398797 0.62 MEN1 (0.43) MEN1KMT2AKDM4CNPC1RAB9A

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
EP-1869041-A1 TETRAHYDRO-PYRIDOAZEPIN-8-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2007-12-26 EP disclosed
US-20060234997-A1 Tetrahydro-pyridoazepin-8-ones and related compounds for the treatment of schizophrenia WARNER-LAMBERT COMPANY LLC 2006-10-19 US disclosed
WO-2006103559-A1 TETRAHYDRO-PYRIDOAZEPIN-8-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2006-10-05 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-20060234997-A1 Tetrahydro-pyridoazepin-8-ones and related compounds for the treatment of schizophrenia PTGDR, GRIN2A, PTGDR2 MEN1 3581/4885KMT2A 2211/4885KDM4C 2286/4885

“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.