SCHEMBL2169946

SCHEMBL2169946

CC1(C)C(=O)N(C2C3CC4CC(C3)CC2C4)N1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.41
ALDH1A1 P00352 6/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.39
DBH P09172 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KCNJ1 P48048 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ACHE P22303 2/20 0.38
HTT P42858 1/20 0.37
BCHE P06276 1/20 0.37
BACE1 P56817 1/20 0.37
P2RX4 Q99571 1/20 0.36

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
SCHEMBL2170292 0.86 ALDH1A1 (0.43) ALDH1A1POLBKDM4EHTT
SCHEMBL2168984 0.85 LMNA (0.36) LMNAMAPTSMN1; SMN2
SCHEMBL2169468 0.84 ACHE (0.35) ALDH1A1LMNAMAPTKDM4EACHE
SCHEMBL2169652 0.84 HSD11B1 (0.43) ALDH1A1SMN1; SMN2NPSR1
SCHEMBL12013028 0.82 HSD11B1 (0.30)
SCHEMBL2168734 0.81 SMN1; SMN2 (0.42) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2169304 0.81 CYP3A4 (0.37) ALDH1A1MAPTKDM4EACHEBCHE
SCHEMBL2169663 0.79 SIRT6 (0.38) GFERALDH1A1LMNAMAPTPOLB
SCHEMBL2169877 0.79 ALDH1A1 (0.36) ALDH1A1POLBKDM4EHTT
SCHEMBL2168793 0.78 POLB (0.40) ALDH1A1LMNAMAPTPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252781-B2 1,2-diazetidin-3-one derivatives and drugs containing same KOWA COMPANY, LTD. (JP) 2012-08-28 US claimed
EP-2348019-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVE AND PHARMACEUTICAL AGENT COMPRISING SAME Kowa Company, Ltd. (JP) 2011-07-27 EP claimed
US-20100144694-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVES AND DRUGS CONTAINING SAME KOWA COMPANY, LTD. (JP) 2010-06-10 US claimed
US-8252781-B2 1,2-diazetidin-3-one derivatives and drugs containing same KOWA COMPANY, LTD. (JP) 2012-08-28 US disclosed
US-8252781-B2 1,2-diazetidin-3-one derivatives and drugs containing same KOWA COMPANY, LTD. (JP) 2012-08-28 US disclosed
EP-2348019-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVE AND PHARMACEUTICAL AGENT COMPRISING SAME Kowa Company, Ltd. (JP) 2011-07-27 EP disclosed
US-20100144694-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVES AND DRUGS CONTAINING SAME KOWA COMPANY, LTD. (JP) 2010-06-10 US disclosed
US-20100144694-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVES AND DRUGS CONTAINING SAME KOWA COMPANY, LTD. (JP) 2010-06-10 US disclosed
WO-2010050191-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVE AND PHARMACEUTICAL AGENT COMPRISING SAME 興和株式会社 (JP) 2010-05-06 WO 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-20100144694-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVES AND DRUGS CONTAINING SAME HSD11B1, HSD11B2, HSD3B1 GFER 3388/4885ALDH1A1 157/4885LMNA 2658/4885

“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.