SCHEMBL90798

SCHEMBL90798

CN1CCC(C2(N)CC2)C1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
NCF1 P14598 1/20 0.38
OPRM1 P35372 4/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 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
SCHEMBL14588871 1.00 KMT2A (0.39) KMT2ANCF1OPRM1MAPK1SMN1; SMN2
SCHEMBL12457716 0.80
SCHEMBL14431948 0.74 KMT2A (0.40) KMT2ANCF1MAPK1SMN1; SMN2
SCHEMBL18968291 0.73
SCHEMBL10306161 0.73
SCHEMBL14139659 0.73
SCHEMBL90594 0.73
SCHEMBL17972988 0.73 KMT2A (0.47) KMT2ANCF1OPRM1MAPK1SMN1; SMN2
SCHEMBL18968813 0.73
SCHEMBL731296 0.72 GRIN2D (0.32) OPRM1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 US disclosed
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-28 US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 US disclosed
EP-2686320-B1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME (US) 2016-05-18 EP disclosed
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 US disclosed
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 US disclosed
US-8946422-B2 8-methoxy-9H-isothiazolo[5,4-B]quinoline-3,4-diones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2015-02-03 US disclosed
WO-2014043272-A1 TRICYCLIC GYRASE INHIBITORS FOR USE AS ANTIBACTERIAL AGENTS TRIUS THERAPEUTICS INC. (US) 2014-03-20 WO disclosed
WO-2012125746-A1 TRICYCLIC GYRASE INHIBITORS TRIUS THERAPEUTICS INC. (US) 2012-09-20 WO disclosed
US-20100063279-A1 METHOD FOR PRODUCING QUINOLONE CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-03-11 US disclosed
US-20100063279-A1 METHOD FOR PRODUCING QUINOLONE CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-03-11 US disclosed
EP-2130827-A1 METHOD FOR PRODUCING QUINOLONE CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-12-09 EP disclosed
US-7582627-B2 3-Amino-7-[3-(1-aminoethyl)-4-fluoropyrrolidin-1-yl]-1-cyclopropyl-8-methyl-1H-pyrido[4,3-d]pyrimidine-2,4-dione; quinolone antibiotics; bactericides; for antibiotic- resistant bacterial infections, ciprofloxacin- resistant ones; inhibiting wild-type and quinolone- resistant mutants of DNA gryase WARNER-LAMBERT COMPANY (US) 2009-09-01 US disclosed
US-20090012071-A1 4-SUBSTITUTED-1H-ISOTHIAZOLO[5,4-B][1,4]OXAZINO[2,3,4-IJ]QUINOLINE-7,8(2H,9H)-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-08 US disclosed
US-20080300403-A1 Method for Production of Quinolone-Containing Lyophilized Preparation DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-12-04 US disclosed
US-20080300403-A1 Method for Production of Quinolone-Containing Lyophilized Preparation DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-12-04 US disclosed
EP-1930006-A1 METHOD FOR PRODUCTION OF QUINOLONE-CONTAINING LYOPHILIZED PREPARATION Daiichi Sankyo Company, Limited (JP) 2008-06-11 EP disclosed
US-7176313-B2 Anti acid-fast bacterial agent containing pyridonecarboxylic acids as active ingredient DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-13 US disclosed
US-7176313-B2 Anti acid-fast bacterial agent containing pyridonecarboxylic acids as active ingredient DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-13 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-20080300403-A1 Method for Production of Quinolone-Containing Lyophilized Preparation NQO2, TREH, CYP51A1 KMT2A 3603/4885NCF1 1645/4885OPRM1 4250/4885
US-20090012071-A1 4-SUBSTITUTED-1H-ISOTHIAZOLO[5,4-B][1,4]OXAZINO[2,3,4-IJ]QUINOLINE-7,8(2H,9H)-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS TOP1, TOP2B, TOP2A KMT2A 2301/4885NCF1 1653/4885OPRM1 3701/4885
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B KMT2A 3484/4885NCF1 1740/4885OPRM1 3994/4885
US-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B KMT2A 3095/4885NCF1 1880/4885OPRM1 4072/4885
US-20170369498-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B KMT2A 3095/4885NCF1 1880/4885OPRM1 4072/4885
US-20100063279-A1 METHOD FOR PRODUCING QUINOLONE CARBOXYLIC ACID DERIVATIVE NQO2, QPCT, QARS1 KMT2A 1992/4885NCF1 849/4885OPRM1 3811/4885

“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.