SCHEMBL6750668

SCHEMBL6750668

CCOC(=O)CCCCc1ccc(N)cn1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.48
CYP4A11 Q02928 2/20 0.48
TNF P01375 4/20 0.45
TBXAS1 P24557 4/20 0.44
CYP1A2 P05177 2/20 0.42
CYP4Z1 Q86W10 1/20 0.41
CYSLTR2 Q9NS75 2/20 0.41
CYSLTR1 Q9Y271 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAOA P21397 1/20 0.40
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL5700924 0.90 CYP4F2 (0.46) CYP4F2CYP4A11TNFCYP1A2SMN1; SMN2
SCHEMBL5250071 0.83 CYP4F2 (0.48) CYP4F2CYP4A11TBXAS1CYP1A2CYP4Z1
SCHEMBL9655979 0.81 MIF (0.44) SMN1; SMN2LMNAGAA
SCHEMBL2635600 0.81 SMN1; SMN2 (0.51) CYP1A2SMN1; SMN2LMNACYP3A4MAOA
SCHEMBL17028594 0.80 CYSLTR2 (0.45) CYP4F2CYP4A11TBXAS1CYP1A2CYP4Z1
SCHEMBL9657521 0.79 FFAR1 (0.44) TBXAS1CYSLTR2CYSLTR1
SCHEMBL3931150 0.79 NPSR1 (0.44) CYP4F2CYP4A11TBXAS1CYP1A2CYP4Z1
SCHEMBL13962535 0.79 CYP4F2 (0.43) CYP4F2CYP4A11TBXAS1CYP1A2CYP4Z1
SCHEMBL3933040 0.79 FAAH (0.43) CYP4F2CYP4A11TBXAS1CYP1A2CYP4Z1
SCHEMBL20201108 0.78 CYP1A2 (0.41) CYP4F2CYP4A11TNFTBXAS1CYP1A2

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 CYP4F2 264/4885CYP4A11 131/4885TNF 489/4885

“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.