SCHEMBL10139491

SCHEMBL10139491

OC[C@@H]1CC[C@@H](NOCc2ccccc2)CN1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.36
BTK Q06187 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2C19 P33261 1/20 0.33

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
SCHEMBL20936684 0.85 ALDH1A1 (0.40) ALDH1A1GAATSHRNPC1RAB9A
SCHEMBL21362360 0.82 GLA (0.39) ALDH1A1GAATSHRNPC1RAB9A
SCHEMBL15865519 0.80 TSHR (0.36) ALDH1A1GAATSHR
SCHEMBL19872340 0.80 TSHR (0.36) ALDH1A1GAATSHR
SCHEMBL1250453 0.80 ALDH1A1 (0.45) ALDH1A1GAATSHRNPC1RAB9A
SCHEMBL1666704 0.80 ALDH1A1 (0.45) ALDH1A1GAATSHRNPC1RAB9A
SCHEMBL19856419 0.80 ALDH1A1 (0.45) ALDH1A1GAATSHRNPC1RAB9A
SCHEMBL19856434 0.80 ALDH1A1 (0.45) ALDH1A1GAATSHRNPC1RAB9A
SCHEMBL1250455 0.80 ALDH1A1 (0.45) ALDH1A1GAATSHRNPC1RAB9A
SCHEMBL1250452 0.80 ALDH1A1 (0.45) ALDH1A1GAATSHRNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210300926-A1 NEW BETA-LACTAMASE INHIBITORS TARGETING GRAM NEGATIVE BACTERIA UNIVERSITÉ PARIS CITÉ (FR) 2021-09-30 US disclosed
US-20200325139-A1 NEW ANTIBIOTICS TARGETING MYCOBACTERIA UNIVERSITÉ PARIS CITÉ (FR) 2020-10-15 US disclosed
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 (6 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-20200325139-A1 NEW ANTIBIOTICS TARGETING MYCOBACTERIA MAGT1, RPN2, MAFG ALDH1A1 4334/4885GAA 58/4885TSHR 3834/4885
US-20210300926-A1 NEW BETA-LACTAMASE INHIBITORS TARGETING GRAM NEGATIVE BACTERIA LCT, MGAM, PGLS ALDH1A1 2390/4885GAA 4/4885TSHR 4777/4885
US-20120165533-A1 OPTICALLY ACTIVE DIAZABICYCLOOCTANE DERIVATIVES AND PROCESS FOR PREPARING THE SAME DCXR, CBR1, DECR1 ALDH1A1 1488/4885GAA 226/4885TSHR 303/4885
US-20140303375-A1 PROCESS FOR PREPARING A COMPOUND USEFUL FOR PRODUCING AN OPTICALLY ACTIVE DIAZABICYCLOOCTANE COMPOUND TBC1D15, TBC1D5, TERT ALDH1A1 505/4885GAA 1108/4885TSHR 450/4885
US-20160137645-A1 COMPOUNDS USEFUL FOR PRODUCING AN OPTICALLY ACTIVE DIAZABICYCLOOCTANE COMPOUND CBR1, CBR3, DOHH ALDH1A1 594/4885GAA 1895/4885TSHR 1104/4885
US-20150239840-A1 COMPOUNDS USEFUL FOR PRODUCING AN OPTICALLY ACTIVE DIAZABICYCLOOCTANE COMPOUND TERT, TBC1D5, TBC1D15 ALDH1A1 1067/4885GAA 738/4885TSHR 751/4885

“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.