SCHEMBL2700913

SCHEMBL2700913

CC(=O)Nc1ccc(CC[C]=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP2C19 P33261 2/20 0.52
HPGD P15428 2/20 0.52
RAB9A P51151 1/20 0.52
TSHR P16473 2/20 0.51
TDP1 Q9NUW8 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA12 O43570 1/20 0.50
BRD4 O60885 1/20 0.50
NR1I2 O75469 1/20 0.50
MB P02144 1/20 0.50
CYP1A1 P04798 1/20 0.50

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
SCHEMBL11201779 0.90 POLB (0.50) AOC3SMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL29622963 0.85 AOC3 (0.67) AOC3SMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL29622962 0.85 AOC3 (0.67) AOC3SMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL7771746 0.81 TSHR (0.59) SMN1; SMN2HTTL3MBTL1ALDH1A1KDM4E
SCHEMBL11116153 0.81 SMN1; SMN2 (0.59) AOC3SMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL1902060 0.81 SMN1; SMN2 (0.59) AOC3SMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL7211903 0.79 AOC3 (0.61) AOC3SMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL8868289 0.79 SMN1; SMN2 (0.57) AOC3SMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL6629816 0.79 SMN1; SMN2 (0.57) AOC3SMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL8681807 0.79 SMN1; SMN2 (0.57) AOC3SMN1; SMN2HTTL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4727079-A Brain-specific dopaminergic activity involving dihydropyridine carboxamides, dihydroquinoline and isoquinoline carboxamides UNIVERSITY OF FLORIDA (US) 1988-02-23 US claimed
EP-3219717-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING (R)-N-METHYLNALTREXONE Progenics Pharmaceuticals, Inc. (US) 2017-09-20 EP disclosed
US-20170143700-A1 SYNTHESIS OF (R)-N-METHYLNALTREXONE PROGENICS PHARMACEUTICALS, INC. (US) 2017-05-25 US disclosed
US-9597327-B2 Synthesis of (R)-N-methylnaltrexone PROGENICS PHARMACEUTICALS, INC. (US) 2017-03-21 US disclosed
US-20150290187-A1 SYNTHESIS OF (R)-N-METHYLNALTREXONE Progenics Pharmaceuticals., Inc. 2015-10-15 US disclosed
US-20150057303-A1 SYNTHESIS OF (R)-N-METHYLNALTREXONE PROGENICS PHARMACEUTICALS, INC. (US) 2015-02-26 US disclosed
US-20130323286-A1 SYNTHESIS OF R-N-METHYLNALTREXONE PROGENICS PHARMACEUTICALS, INC. (US) 2013-12-05 US disclosed
US-8343992-B2 Synthesis of R-N-methylnaltrexone PROGENICS PHARMACEUTICALS, INC. (US) 2013-01-01 US disclosed
EP-2450359-A2 (R)-N-Methylnaltrexone Progenics Pharmaceuticals, Inc. (US) 2012-05-09 EP disclosed
US-20100311781-A1 SYNTHESIS OF R-N-METHYLNALTREXONE PROGENICS PHARMACEUTICALS, INC. 2010-12-09 US disclosed
EP-0036426-A1 NOVEL PROCESS AND INTERMEDIATES USEFUL IN THE PREPARATION OF SYMPATHOMIMETIC AMINES. INTERX RESEARCH CORP (US) 1981-09-30 EP disclosed
US-4285947-A DIURETICS, HYPOTENSIVES INTERX RESEARCH CORPORATION (US) 1981-08-25 US disclosed
EP-0032725-A1 Novel aldehyde adducts of triamterene and a pharmaceutical composition containing the same MERCK & CO. INC. (US) 1981-07-29 EP disclosed
US-4275219-A Novel process and intermediates useful in the preparation of sympathomimetic amines INTERX RESEARCH CORPORATION (US) 1981-06-23 US disclosed
WO-1981000849-A1 NOVEL PROCESS AND INTERMEDIATES USEFUL IN THE PREPARATION OF SYMPATHOMIMETIC AMINES INTERX RESEARCH CORP (US) 1981-04-02 WO disclosed
US-RE30241-E BRONCHODILATION, ADRENERGIC STIMULANTS STERLING DRUG INC. (US) 1980-03-25 US disclosed
US-4145441-A SYMPATHOMIMETIC AMINES EXHIBITING ANTI-HEMORRHOIDAL ACTIVITY INTERX RESEARCH CORPORATION (US) 1979-03-20 US disclosed
US-4138581-A BRONCHODILATOR AGENTS, ADRENERGIC STIMULANTS STERLING DRUGS INC. (US) 1979-02-06 US disclosed
US-4094983-A \"KETO\" SYMPATHOMIMETIC AMINES INTERX RESEARCH CORPORATION (US) 1978-06-13 US disclosed
US-4035405-A Novel synthesis for preparing the hydrochloride salt of selected catecholamine derivatives INTERX RESEARCH CORPORATION (US) 1977-07-12 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 (5 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-20130323286-A1 SYNTHESIS OF R-N-METHYLNALTREXONE OPRM1, OPRK1, OPRL1 AOC3 3155/4885SMN1; SMN2 233/4885HTT 1540/4885
US-20170143700-A1 SYNTHESIS OF (R)-N-METHYLNALTREXONE OPRM1, OPRL1, OPRK1 AOC3 2921/4885SMN1; SMN2 217/4885HTT 1411/4885
US-20150057303-A1 SYNTHESIS OF (R)-N-METHYLNALTREXONE OPRM1, OPRL1, OPRK1 AOC3 2921/4885SMN1; SMN2 217/4885HTT 1411/4885
US-20100311781-A1 SYNTHESIS OF R-N-METHYLNALTREXONE OPRM1, OPRK1, OPRL1 AOC3 3155/4885SMN1; SMN2 233/4885HTT 1540/4885
US-20150290187-A1 SYNTHESIS OF (R)-N-METHYLNALTREXONE OPRM1, OPRL1, OPRK1 AOC3 2921/4885SMN1; SMN2 217/4885HTT 1411/4885

“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.