SCHEMBL5783641

SCHEMBL5783641

O=CC1Cc2ccccc2NC1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 3/20 0.49
BRD4 O60885 2/20 0.49
AHR P35869 1/20 0.44
PDK2 Q15119 1/20 0.44
NPC1 O15118 2/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
MAPT P10636 4/20 0.41
PYGL P06737 5/20 0.40
PYGM P11217 4/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
GAA P10253 2/20 0.39
BRPF1 P55201 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL15330265 0.77 BRD4 (0.45) BRD4AHRMAPTHSP90AA1
SCHEMBL5668502 0.75 DDB1 (0.50) CREBBPBRD4AHRPDK2NPC1
SCHEMBL7344411 0.75 PYGL (0.49) CREBBPBRD4AHRPDK2NPC1
SCHEMBL4802691 0.74 CREBBP (0.51) CREBBPBRD4AHRPDK2NPC1
SCHEMBL6221253 0.74 CREBBP (0.61) CREBBPBRD4AHRPDK2NPC1
SCHEMBL8377629 0.74 CREBBP (0.51) CREBBPBRD4AHRPDK2NPC1
SCHEMBL29715311 0.74 CREBBP (0.51) CREBBPBRD4AHRPDK2NPC1
SCHEMBL19032026 0.74 CREBBP (0.51) CREBBPBRD4AHRPDK2NPC1
SCHEMBL4805157 0.74 CREBBP (0.51) CREBBPBRD4AHRPDK2NPC1
SCHEMBL4596354 0.74 CREBBP (0.51) CREBBPBRD4AHRPDK2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254904-B1 NOVEL PIPERIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME EISAI CO LTD (JP) 2006-05-24 EP disclosed
US-20030220368-A1 Novel piperidine compouds and drugs containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-11-27 US disclosed
CN-1395575-A Novel piperidine compounds and drugs containing the same EISAI CO LTD (JP) 2003-02-05 CN disclosed
EP-1254904-A1 NOVEL PIPERIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-11-06 EP 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-20030220368-A1 Novel piperidine compouds and drugs containing the same TRPV1, CACNA1D, KCND2 CREBBP 930/4885BRD4 224/4885AHR 214/4885

“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.