SCHEMBL6749796

SCHEMBL6749796

C=COC(C)=C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.51
MC4R P32245 1/20 0.49
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
DRD4 P21917 2/20 0.44
PHGDH O43175 1/20 0.43
MGLL Q99685 1/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ACHE P22303 1/20 0.43
APOBEC3A P31941 1/20 0.42
RECQL P46063 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42

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
SCHEMBL15962261 0.78 SIGMAR1 (0.61) SIGMAR1MC4RLMNAPOLBMEN1
SCHEMBL6745218 0.78 SIGMAR1 (0.61) SIGMAR1MC4RLMNAPOLBMEN1
SCHEMBL8972324 0.74 SIGMAR1 (0.55) SIGMAR1MC4RLMNAPOLBMEN1
Methyl Alcohol SCHEMBL27657573 0.74 SIGMAR1 (0.86) SIGMAR1MC4RLMNAPOLBDRD4
SCHEMBL6735770 0.73 KMT2A (0.53) SIGMAR1MC4RLMNAPOLBMEN1
SCHEMBL29512666 0.72 SIGMAR1 (0.52) SIGMAR1MC4RLMNAPOLBMEN1
SCHEMBL8188324 0.72 SIGMAR1 (1.00) SIGMAR1MC4RLMNAPOLBKMT2A
SCHEMBL242970 0.72 SIGMAR1 (1.00) SIGMAR1MC4RLMNAPOLBKMT2A
SCHEMBL1415730 0.72 SIGMAR1 (1.00) SIGMAR1MC4RLMNAPOLBKMT2A
SCHEMBL1041303 0.72 SIGMAR1 (1.00) SIGMAR1MC4RLMNAPOLBKMT2A

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 SIGMAR1 1579/4885MC4R 1614/4885LMNA 4878/4885

“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.