SCHEMBL6747271

SCHEMBL6747271

CN1CC2CCCC(C1)C2CCC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
F2R P25116 1/20 0.34
ACE P12821 2/20 0.33
UGT2B7 P16662 1/20 0.33
REN P00797 1/20 0.33
FOLH1 Q04609 1/20 0.33
CYP1A2 P05177 3/20 0.33
CYP2C19 P33261 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPK1 P28482 1/20 0.32
MAPT P10636 1/20 0.31
ARG1 P05089 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL6749057 0.81 HSD11B1 (0.44) CYP1A2MAPK1ALDH1A1
SCHEMBL7142983 0.79 HRH3 (0.33) HRH3
SCHEMBL7142985 0.79 HRH3 (0.33) HRH3
Oxalic Acid SCHEMBL7148808 0.79 HSD11B1 (0.41) ACERENSMN1; SMN2ALDH1A1
SCHEMBL6747648 0.77 BRD4 (0.32)
SCHEMBL7149632 0.74 FOLH1 (0.35) ITGB3ITGA2BF2RFOLH1SMN1; SMN2
SCHEMBL6747288 0.72
SCHEMBL6745649 0.71 CPB1 (0.31)
SCHEMBL8319934 0.71 ALDH1A1 (0.37) ALDH1A1
SCHEMBL8324814 0.70 CHRM1 (0.34) ALDH1A1

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 2 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

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 ITGB3 4812/4885ITGA2B 4862/4885F2R 1232/4885

“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.