SCHEMBL2168658

SCHEMBL2168658

CC1(C)C(=O)N(C2C3CC4CC(C3)CC2C4)N1C(=O)c1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.41
PIK3CD O00329 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 2/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.38
USP2 O75604 3/20 0.38
HSD11B1 P28845 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2D6 P10635 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 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
SCHEMBL13368833 0.87 USP2 (0.38) USP2
SCHEMBL2169041 0.87 HPGD (0.41) SMN1; SMN2ALDH1A1LMNAUSP2HSD11B1
SCHEMBL2168963 0.86 ALDH1A1 (0.43) CYP2C9CYP2C19TSHRALDH1A1USP2
SCHEMBL2169563 0.86 P2RX7 (0.40) SMN1; SMN2CYP2C19ALDH1A1USP2HSD11B1
SCHEMBL2170275 0.86 ALDH1A1 (0.40) SMN1; SMN2CYP2C9CYP2C19CYP3A4ALDH1A1
SCHEMBL2185159 0.86 LMNA (0.44) SMN1; SMN2ALDH1A1LMNAHSD11B1MEN1
SCHEMBL2169090 0.86 USP2 (0.51) MAPK1TSHRALDH1A1USP2HSD11B1
SCHEMBL2168721 0.84 KMT2A (0.46) SMN1; SMN2ALDH1A1HSD11B1L3MBTL1MEN1
SCHEMBL2169592 0.84 ALDH1A1 (0.47) TSHRALDH1A1LMNAL3MBTL1MEN1
SCHEMBL2169955 0.82 CPS1 (0.36) SMN1; SMN2MAPK1L3MBTL1KMT2A

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-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

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 PLA2G7 673/4885PIK3CD 2800/4885SMN1; SMN2 3043/4885

“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.