SCHEMBL6750241

SCHEMBL6750241

CNS(=O)(=O)CCC1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.36
ITGA2B P08514 10/20 0.36
GNAO1 P09471 1/20 0.36
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
F2R P25116 2/20 0.35
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
GABRA1 P14867 1/20 0.33
TSHR P16473 1/20 0.33
GABRG2 P18507 1/20 0.33
NFKB1 P19838 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRA6 Q16445 1/20 0.33
ITGAV P06756 1/20 0.33
CHRM2 P08172 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
Acetic Acid SCHEMBL6749020 0.92 ITGB3 (0.40) ITGB3ITGA2BF2RGABRA1GABRA5
SCHEMBL22674543 0.86 KDM1A (0.33)
SCHEMBL17437799 0.80 SIGMAR1 (0.42)
SCHEMBL310513 0.78 CHRM1 (0.38) ITGB3ITGA2BGNAO1CHRM1CHRM3
SCHEMBL12990116 0.77 KAT8 (0.35)
Hydrochloric Acid SCHEMBL310124 0.76 GNAO1 (0.38) ITGB3ITGA2BGNAO1CHRM1CHRM3
SCHEMBL24008966 0.74 CHRM1 (0.36) ITGB3ITGA2BGNAO1CHRM1CHRM3
SCHEMBL230908 0.74 CHRM1 (0.38) ITGB3ITGA2BGNAO1CHRM1CHRM3
SCHEMBL2169002 0.74 GABRA5 (0.46) ITGB3ITGA2BGNAO1CHRM1CHRM3
SCHEMBL8555124 0.73 CHRM1 (0.35) ITGB3ITGA2BGNAO1CHRM1CHRM3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012138705-A2 A SELF-CONDITIONING POLISHING PAD AND A METHOD OF MAKING THE SAME UNIVERSAL PHOTONICS, INC. (US) 2012-10-11 WO disclosed
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 ITGB3 4812/4885ITGA2B 4862/4885GNAO1 3640/4885

“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.