Sugi Predict

Sugi Predict / Compounds / SCHEMBL2169732

SCHEMBL2169732

SCHEMBL2169732

CC1(C)C(=O)N(C2C3CC4CC(C3)CC2C4)N1Cc1c(F)cccc1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.38
▸ NTRK1 P04629 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ CA12 O43570 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ TAS2R8 Q9NYW2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ PARG Q86W56 1/20 0.31
▸ CYP3A4 P08684 3/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ CXCR3 P49682 1/20 0.30
▸ OPRM1 P35372 1/20 0.30
▸ OPRD1 P41143 1/20 0.30

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
SCHEMBL2169952 0.92 ALDH1A1 (0.41) ALDH1A1KDM4ELMNACYP3A4MEN1
SCHEMBL2169436 0.87 EPHX2 (0.36) EPHX2NTRK1TAS2R8HSD11B1MEN1
SCHEMBL2168978 0.86 EPHX2 (0.40) EPHX2ALDH1A1KDM4EHSD11B1CYP3A4
SCHEMBL2170549 0.86 EPHX2 (0.36) EPHX2HSD11B1CXCR3
SCHEMBL2170045 0.85 TSHR (0.36) EPHX2ALDH1A1LMNAHSD11B1PARG
SCHEMBL2169951 0.82 CHRM2 (0.48) ALDH1A1CA12MEN1KMT2A
SCHEMBL2168961 0.81 CYP11B2 (0.37) ALDH1A1HSD11B1MEN1KMT2APOLB
SCHEMBL2169652 0.81 HSD11B1 (0.43) EPHX2ALDH1A1HSD11B1MEN1KMT2A
SCHEMBL2169877 0.81 ALDH1A1 (0.36) EPHX2NTRK1ALDH1A1KDM4EMEN1
SCHEMBL2168880 0.80 P2RX7 (0.39) ALDH1A1MEN1KMT2ACXCR3

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 7 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
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
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 EPHX2 2371/4885NTRK1 4686/4885ALDH1A1 157/4885

“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.