SCHEMBL10139494

SCHEMBL10139494

C=CCOC(=O)[C@@H]1CC[C@@H](NOCc2ccccc2)CN1C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 11/20 0.43
FAAH O00519 2/20 0.40
MMP2 P08253 2/20 0.39
ELANE P08246 1/20 0.38
CYP19A1 P11511 1/20 0.37
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL17060193 0.90 FKBP1A (0.39) FKBP1AFAAHCYP19A1ALDH1A1GAA
SCHEMBL19419297 0.88 KLK7 (0.42) FKBP1AFAAHCYP19A1
SCHEMBL994479 0.87 FKBP1A (0.38) FKBP1AFAAHCTSLCTSKALDH1A1
SCHEMBL994478 0.87 FKBP1A (0.38) FKBP1AFAAHCTSLCTSKALDH1A1
SCHEMBL994476 0.87 FKBP1A (0.38) FKBP1AFAAHCTSLCTSKALDH1A1
SCHEMBL28578570 0.86 MMP2 (0.52) FKBP1AMMP2ALDH1A1
SCHEMBL23668280 0.84 MMP2 (0.43) FKBP1AMMP2ALDH1A1GAA
SCHEMBL15287918 0.80 FKBP1A (0.45) FKBP1AALDH1A1
SCHEMBL997332 0.80 FKBP1A (0.42) FKBP1AELANECTSLCTSKALDH1A1
SCHEMBL997333 0.80 FKBP1A (0.42) FKBP1AELANECTSLCTSKALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676777-B2 Compounds useful for producing an optically active diazabicyclooctane compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2017-06-13 US disclosed
US-20160137645-A1 COMPOUNDS USEFUL FOR PRODUCING AN OPTICALLY ACTIVE DIAZABICYCLOOCTANE COMPOUND MEIJI SEIKA PHARMA CO., LTD. (JP) 2016-05-19 US disclosed
US-9284273-B2 Compounds useful for producing an optically active diazabicyclooctane compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2016-03-15 US disclosed
US-20150239840-A1 COMPOUNDS USEFUL FOR PRODUCING AN OPTICALLY ACTIVE DIAZABICYCLOOCTANE COMPOUND MEIJI SEIKA PHARMA CO., LTD. (JP) 2015-08-27 US disclosed
US-9035062-B2 Process for preparing a compound useful for producing an optically active diazabicyclooctane compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2015-05-19 US disclosed
US-20140303375-A1 PROCESS FOR PREPARING A COMPOUND USEFUL FOR PRODUCING AN OPTICALLY ACTIVE DIAZABICYCLOOCTANE COMPOUND Meiji Seika Pharma. Co., Ltd. (JP) 2014-10-09 US disclosed
US-8772490-B2 Optically active diazabicyclooctane derivatives and process for preparing the same MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-07-08 US disclosed
US-20120165533-A1 OPTICALLY ACTIVE DIAZABICYCLOOCTANE DERIVATIVES AND PROCESS FOR PREPARING THE SAME MEIJI SEIKA PHARMA CO., LTD. (JP) 2012-06-28 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 (4 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-20120165533-A1 OPTICALLY ACTIVE DIAZABICYCLOOCTANE DERIVATIVES AND PROCESS FOR PREPARING THE SAME DCXR, CBR1, DECR1 FKBP1A 4045/4885FAAH 1709/4885MMP2 2723/4885
US-20140303375-A1 PROCESS FOR PREPARING A COMPOUND USEFUL FOR PRODUCING AN OPTICALLY ACTIVE DIAZABICYCLOOCTANE COMPOUND TBC1D15, TBC1D5, TERT FKBP1A 4853/4885FAAH 372/4885MMP2 3030/4885
US-20160137645-A1 COMPOUNDS USEFUL FOR PRODUCING AN OPTICALLY ACTIVE DIAZABICYCLOOCTANE COMPOUND CBR1, CBR3, DOHH FKBP1A 3131/4885FAAH 492/4885MMP2 3948/4885
US-20150239840-A1 COMPOUNDS USEFUL FOR PRODUCING AN OPTICALLY ACTIVE DIAZABICYCLOOCTANE COMPOUND TERT, TBC1D5, TBC1D15 FKBP1A 4553/4885FAAH 629/4885MMP2 2923/4885

“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.