SCHEMBL6745182

SCHEMBL6745182

O=C(O)C1CC2CC(C1)CN(Cc1ccccc1)C2

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 10/20 0.65
S1PR1 P21453 5/20 0.65
FUCA1 P04066 2/20 0.51
HSD11B1 P28845 1/20 0.49
GRIN2B Q13224 1/20 0.49
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL20488466 0.86 FUCA1 (0.60) S1PR5S1PR1FUCA1ALDH1A1
SCHEMBL51920 0.85 S1PR5 (0.81) S1PR5S1PR1FUCA1
SCHEMBL565212 0.84 S1PR5 (0.87) S1PR5S1PR1FUCA1
Hydrochloric Acid SCHEMBL20488123 0.84 FUCA1 (0.58) S1PR5S1PR1FUCA1MEN1ALDH1A1
SCHEMBL6749184 0.84 S1PR5 (0.50) S1PR5S1PR1FUCA1HSD11B1GRIN2B
SCHEMBL7148453 0.83 S1PR5 (0.51) S1PR5S1PR1FUCA1HSD11B1GRIN2B
SCHEMBL2955795 0.82 FUCA1 (0.60) S1PR5S1PR1FUCA1ALDH1A1
SCHEMBL7147305 0.82 L3MBTL1 (0.56) MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL6318888 0.81 S1PR5 (0.53) S1PR5S1PR1FUCA1HSD11B1GRIN2B
SCHEMBL2330642 0.80 S1PR5 (0.68) S1PR5S1PR1FUCA1GRIN2BMEN1

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 S1PR5 2019/4885S1PR1 1697/4885FUCA1 4128/4885

“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.