SCHEMBL6750409

SCHEMBL6750409

COCON1c2ccccc2Nc2nccnc21

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 6/20 0.35
ALDH1A1 P00352 2/20 0.35
IDH1 O75874 2/20 0.35
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRM2 P08172 2/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
SIRT6 Q8N6T7 1/20 0.32

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
SCHEMBL6752003 0.78 ALDH1A1 (0.41) AKT1ALDH1A1IDH1RAB9AKDM4E
SCHEMBL6749181 0.73 BRPF1 (0.41) AKT1ALDH1A1IDH1KDM4EGAA
SCHEMBL6747312 0.70 ALDH1A1 (0.45) AKT1ALDH1A1IDH1RAB9AKDM4E
SCHEMBL6747353 0.68 ALDH1A1 (0.43) AKT1ALDH1A1IDH1RAB9ASMN1; SMN2
SCHEMBL6745573 0.67 GAA (0.47) AKT1ALDH1A1IDH1RAB9AKDM4E
SCHEMBL6749081 0.67 ALDH1A1 (0.50) AKT1ALDH1A1RAB9AKDM4EGAA
SCHEMBL6747868 0.66 ALDH1A1 (0.43) ALDH1A1IDH1RAB9AKDM4ESMN1; SMN2
SCHEMBL6749236 0.64 ALDH1A1 (0.41) AKT1ALDH1A1IDH1RAB9AMAPT
SCHEMBL6749102 0.64 ALDH1A1 (0.42) AKT1ALDH1A1IDH1RAB9ASMN1; SMN2
SCHEMBL8458231 0.63 IDH1 (0.37) AKT1IDH1RAB9ACHRM2

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 AKT1 3609/4885ALDH1A1 145/4885IDH1 4609/4885

“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.