SCHEMBL6978728

SCHEMBL6978728

CCC1CC(=O)c2ccccc2N1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 5/20 0.63
BRD4 O60885 5/20 0.63
EP300 Q09472 1/20 0.42
NOS2 P35228 1/20 0.40
ALOX5 P09917 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
TSHR P16473 1/20 0.39
HTR2B P41595 1/20 0.38
S100A4 P26447 1/20 0.38
MTNR1A P48039 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
SCHEMBL30417761 1.00 CREBBP (0.63) CREBBPBRD4EP300NOS2ALOX5
SCHEMBL1502374 0.82 ALDH1A1 (0.51) CREBBPBRD4
SCHEMBL11771368 0.78 ALDH1A1 (0.40) CREBBPBRD4TNKS2S100A4
SCHEMBL4020604 0.78 CYP1A2 (0.56) CREBBPBRD4TSHR
SCHEMBL4907068 0.77 CREBBP (1.00) CREBBPBRD4EP300
SCHEMBL17680224 0.77 CREBBP (1.00) CREBBPBRD4EP300
SCHEMBL4018688 0.77 HSD17B10 (0.48) CREBBPBRD4TNKS2
SCHEMBL13960699 0.77 HSD17B10 (0.48) CREBBPBRD4TNKS2
SCHEMBL4018690 0.77 HSD17B10 (0.48) CREBBPBRD4TNKS2
SCHEMBL22955423 0.76 CREBBP (0.59) CREBBPBRD4MTNR1A

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
WO-2023083365-A1 PAD4 INHIBITORS AND USE THEREOF QILU REGOR THERAPEUTICS INC. (CN) 2023-05-19 WO disclosed
US-20030216398-A1 Soluble beta amyloid precursor protein secretion promoters TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2003-11-20 US disclosed
EP-1283055-A1 SOLUBLE BETA AMYLOID PRECURSOR PROTEIN SECRETION PROMOTERS Takeda Chemical Industries, Ltd. (JP) 2003-02-12 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-20030216398-A1 Soluble beta amyloid precursor protein secretion promoters APP, BDNF, BACE1 CREBBP 142/4885BRD4 4025/4885EP300 2489/4885

“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.