SCHEMBL6745150

SCHEMBL6745150

COCN1c2cc(C(=O)CC(C)=O)ccc2Sc2nccnc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.44
THRB P10828 1/20 0.34
TP53 P04637 4/20 0.34
HSD17B10 Q99714 4/20 0.34
CHRM2 P08172 2/20 0.34
HTR1A P08908 2/20 0.34
CHRM1 P11229 2/20 0.34
DRD2 P14416 2/20 0.34
ADRA1A P35348 2/20 0.34
OPRM1 P35372 2/20 0.34
DRD3 P35462 2/20 0.34
KCNH2 Q12809 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
TSHR P16473 2/20 0.34
THPO P40225 2/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL6747463 0.89 HDAC6 (0.44) HDAC6THRBHSD17B10CHRM2HTR1A
SCHEMBL7144340 0.88 HDAC6 (0.42) HDAC6THRBTP53HSD17B10CHRM2
SCHEMBL6750179 0.88 HDAC6 (0.46) HDAC6THRBTP53HSD17B10MAPT
SCHEMBL8315505 0.88 HDAC6 (0.45) HDAC6THRBTP53HSD17B10CHRM2
SCHEMBL6747555 0.87 HDAC6 (0.44) HDAC6THRBTP53HRH1MAPT
SCHEMBL6747320 0.86 HDAC6 (0.57) HDAC6TP53HDAC3HDAC1HDAC4
SCHEMBL6745834 0.86 HDAC6 (0.43) HDAC6THRBTP53CHRM2HTR1A
SCHEMBL6746495 0.83 HDAC6 (0.43) HDAC6THRBTP53HSD17B10CHRM2
SCHEMBL6848543 0.83 HDAC6 (0.43) HDAC6THRBTP53HSD17B10CHRM2
SCHEMBL6749176 0.82 LMNA (0.47) HDAC6TP53HSD17B10TSHRADRA2B

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
US-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 US disclosed
US-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 US disclosed
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 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-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 HDAC6 1953/4885THRB 4064/4885TP53 550/4885

“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.