SCHEMBL6747463

SCHEMBL6747463

COCN1c2cc(C(C)=O)ccc2Sc2nccnc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.44
LMNA P02545 4/20 0.42
HTR1A P08908 3/20 0.42
DRD2 P14416 3/20 0.42
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
ADRA1A P35348 3/20 0.42
DRD3 P35462 3/20 0.42
SLC6A3 Q01959 3/20 0.42
KCNH2 Q12809 3/20 0.42
ADRA2A P08913 2/20 0.42
DRD1 P21728 2/20 0.42
CYP1A2 P05177 2/20 0.42
CHRM2 P08172 2/20 0.42
CYP2D6 P10635 2/20 0.42
CHRM1 P11229 2/20 0.42
PRNP P04156 1/20 0.42
TSHR P16473 1/20 0.42
TBXA2R P21731 1/20 0.42
OPRM1 P35372 1/20 0.42

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
SCHEMBL8315505 0.92 HDAC6 (0.45) HDAC6LMNAHTR1ADRD2SLC6A2
SCHEMBL6747555 0.91 HDAC6 (0.44) HDAC6LMNAMAPTHRH1POLB
SCHEMBL6745834 0.90 HDAC6 (0.43) HDAC6LMNAHTR1ADRD2SLC6A2
SCHEMBL6745150 0.89 HDAC6 (0.44) HDAC6LMNAHTR1ADRD2SLC6A2
SCHEMBL7144340 0.88 HDAC6 (0.42) HDAC6LMNAHTR1ADRD2SLC6A2
SCHEMBL6747320 0.88 HDAC6 (0.57) HDAC6
SCHEMBL6749176 0.85 LMNA (0.47) HDAC6LMNATSHRMAPTMAPK1
SCHEMBL6751846 0.85 HDAC6 (0.39) HDAC6LMNACYP1A2TSHRPOLB
SCHEMBL6750196 0.84 HDAC6 (0.44) HDAC6LMNAMEN1KMT2AHTT
SCHEMBL8319484 0.83 HDAC6 (0.42) HDAC6MAPTL3MBTL1POLB

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 1953/4885LMNA 4878/4885HTR1A 1339/4885

“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.