SCHEMBL2093408

SCHEMBL2093408

CC(=O)NCCC1C2CC3CC(C2)CC1C3

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.44
▸ EPHX2 P34913 6/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ TSHR P16473 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ MTNR1A P48039 2/20 0.35
▸ MTNR1B P49286 2/20 0.35
▸ PAOX Q6QHF9 2/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL24105916 0.80 HSD11B1 (0.40) HSD11B1EPHX2KDM4EL3MBTL1ALDH1A1
SCHEMBL21376619 0.80 HSD11B1 (0.47) HSD11B1EPHX2L3MBTL1ALDH1A1
SCHEMBL26707971 0.73 HSD11B1 (0.37) HSD11B1EPHX2L3MBTL1ALDH1A1
SCHEMBL8968921 0.69 ALDH1A1 (0.51) HSD11B1EPHX2KDM4EL3MBTL1ALDH1A1
SCHEMBL5392965 0.69 — —
SCHEMBL24105936 0.68 HSD11B1 (0.42) HSD11B1EPHX2ALDH1A1
SCHEMBL21376363 0.67 CYP2C9 (0.56) HSD11B1EPHX2L3MBTL1ALDH1A1
SCHEMBL6159955 0.67 HSD11B1 (0.61) HSD11B1EPHX2KDM4EL3MBTL1
Methacrylic Acid SCHEMBL28236245 0.67 HSD11B1 (0.46) HSD11B1EPHX2L3MBTL1CHRNB2CHRNB4
SCHEMBL21660832 0.67 KDM4E (0.41) KDM4EMAPK1HIF1ATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-07 — — US disclosed
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-16 — — US disclosed
US-9951073-B2 Compounds and compositions for treating chemical warfare agent-induced injuries HYDRA BIOSCIENCES, INC. (US) 2018-04-24 — — US disclosed
US-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC (US) 2013-11-14 — — US disclosed
US-8163761-B2 Methods and compositions for treating disorders HYDRA BIOSCIENCES, INC. (US) 2012-04-24 — — 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 (3 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-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use ITGB1, ITGB2, ITGA2 HSD11B1 3214/4885EPHX2 1146/4885KDM4E 4154/4885
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE ITGB1, ITGB2, ITGA2 HSD11B1 3214/4885EPHX2 1146/4885KDM4E 4154/4885
US-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 HSD11B1 3661/4885EPHX2 838/4885KDM4E 4024/4885

“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.

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