Sugi Predict

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SCHEMBL2168779

SCHEMBL2168779

CC1(C)C(=O)N(C2C3CC4CC(C3)CC2C4)N1c1cccc(O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MCL1 Q07820 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ OPRM1 P35372 2/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ KIF11 P52732 2/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ HTR7 P34969 1/20 0.32
▸ GRM2 Q14416 1/20 0.32

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
SCHEMBL2170408 0.86 KMT2A (0.42) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL2169450 0.86 CACNA1B (0.39) ALDH1A1MAPTHSD17B10SMN1; SMN2L3MBTL1
SCHEMBL2169328 0.85 MEN1 (0.39) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL2168539 0.84 POLB (0.32) KMT2AMAPTESR1
SCHEMBL2170619 0.84 ALOX12 (0.38) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2169585 0.84 ALDH1A1 (0.54) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL12472974 0.84 MEN1 (0.36) MEN1KMT2AALDH1A1KDM4E
SCHEMBL2169329 0.81 PRMT5 (0.39) ALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL2168798 0.80 SMN1; SMN2 (0.42) MEN1KMT2AALDH1A1MAPTHSD17B10
SCHEMBL2169773 0.78 EPHX2 (0.38) ALDH1A1KDM4EMAPTHPGDHSD17B10

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 MEN1 490/4885KMT2A 3619/4885ALDH1A1 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.