SCHEMBL6747727

SCHEMBL6747727

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
SCD O00767 1/20 0.33
CYP3A4 P08684 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CYP2D6 P10635 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ABCB11 O95342 1/20 0.31
LMNA P02545 1/20 0.31
ESR1 P03372 1/20 0.31
ADRA2A P08913 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
PDE4A P27815 1/20 0.31
ADRA1A P35348 1/20 0.31
OPRK1 P41145 1/20 0.31
STAT6 P42226 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL6749339 0.85 FFAR1 (0.41) BRD4CYP3A4SLC6A3KDM4EABCB11
SCHEMBL6749088 0.84 TSHR (0.36) CYP3A4SLC6A3CYP2D6SLC6A2SLC6A4
SCHEMBL6751843 0.75 L3MBTL1 (0.37) BRD4SLC6A2KMT2ACYP1A2
SCHEMBL7162055 0.74 HSD17B14 (0.41) SCDKDM4ELMNAKMT2AMAPT
SCHEMBL6745778 0.73 CASP3 (0.32)
SCHEMBL6750715 0.70 CASP3 (0.36) BRD4KCNH2KDM4EALDH1A1
SCHEMBL6749118 0.70 GABRA1 (0.33) SLC6A4
SCHEMBL6745656 0.69 HDAC6 (0.36) LMNAKMT2A
SCHEMBL6749018 0.68 HDAC6 (0.34)
SCHEMBL23610053 0.66 ACHE (0.53) SCDKDM4ELMNACYP2C9KAT7

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 BRD4 40/4885SCD 4781/4885CYP3A4 35/4885

“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.