SCHEMBL6749088

SCHEMBL6749088

COCN1c2cc(C(OC(C)=O)c3ccccn3)ccc2N(C)c2nccnc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
LMNA P02545 2/20 0.36
SLC6A3 Q01959 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ABCB11 O95342 1/20 0.36
ESR1 P03372 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2C9 P11712 1/20 0.36
PDE4A P27815 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRK1 P41145 1/20 0.36
STAT6 P42226 1/20 0.36
HIF1A Q16665 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.32
CYP1A2 P05177 1/20 0.31
AHR P35869 1/20 0.30
CHRM2 P08172 1/20 0.30

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
SCHEMBL6747727 0.84 BRD4 (0.34) TSHRLMNASLC6A3KDM4EABCB11
SCHEMBL6749339 0.84 FFAR1 (0.41) TSHRLMNASLC6A3KDM4EABCB11
SCHEMBL7162055 0.74 HSD17B14 (0.41) LMNAKDM4EALDH1A1POLB
SCHEMBL6751843 0.70 L3MBTL1 (0.37) CYP1A2SLC6A2HRH3CYP2C19
SCHEMBL15705106 0.69 CYP3A4 (0.52) TSHRLMNASLC6A3KDM4EABCB11
SCHEMBL13434059 0.69 TSHR (0.54) TSHRLMNASLC6A3KDM4EABCB11
SCHEMBL6745778 0.69 CASP3 (0.32)
SCHEMBL6749118 0.66 GABRA1 (0.33) SLC6A4
SCHEMBL6750715 0.66 CASP3 (0.36) KDM4EALDH1A1KCNH2
SCHEMBL6749731 0.66 HDAC6 (0.33)

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 TSHR 3062/4885LMNA 4878/4885SLC6A3 2446/4885

“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.