SCHEMBL6565669

SCHEMBL6565669

CCC(=O)c1cc(N)ccc1OCC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
USP2 O75604 2/20 0.36
HMGCR P04035 1/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
CASP7 P55210 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL6568009 0.81 PTGDR2 (0.55) HTR2ACYP2C9ALDH1A1MAPTMEN1
SCHEMBL22419890 0.80 ALDH1A1 (0.53) KDM4CALDH1A1KDM4EGAAMAPT
SCHEMBL6566640 0.79 ALDH1A1 (0.58) HTR2AALDH1A1KDM4EGAAMAPT
SCHEMBL6564644 0.79 RXRA (0.47) CYP1A2CYP2C9MAPTSMN1; SMN2L3MBTL1
SCHEMBL6568138 0.78 TP53 (0.42) ALDH1A1KDM4EMAPTMEN1TP53
SCHEMBL6564598 0.77 SMN1; SMN2 (0.48) HTR2ACYP1A2CYP2C9ALDH1A1KDM4E
SCHEMBL6567890 0.77 CFD (0.46) HTR2ACYP1A2CYP2C9ALDH1A1KDM4E
SCHEMBL6565808 0.76 KMT2A (0.46) CYP1A2CYP2C9ALDH1A1KDM4EGAA
SCHEMBL6567887 0.75 ALDH1A1 (0.37) HTR2ACYP1A2CYP2C9ALDH1A1KDM4E
SCHEMBL6566723 0.74 PARP10 (0.47)

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-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-23 US disclosed
EP-1437344-A1 BENZENE DERIVATIVES,PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-14 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-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof HRH4, HRH2, HRH1 HTR2A 263/4885CYP1A2 265/4885CYP2C9 310/4885

“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.