SCHEMBL2701205

SCHEMBL2701205

Cc1cc(CC[C]=O)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
MCL1 Q07820 1/20 0.37
FFAR1 O14842 2/20 0.35
FFAR4 Q5NUL3 2/20 0.35
KMT2A Q03164 3/20 0.34
SIGMAR1 Q99720 3/20 0.34
CYP1A2 P05177 2/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
S1PR1 P21453 1/20 0.34
KDM4A O75164 1/20 0.34
KDM5A P29375 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
CYP2D6 P10635 1/20 0.33
TMEM97 Q5BJF2 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
SCHEMBL5542604 0.82 PNMT (0.55) PNMTTAAR1KMT2ASIGMAR1CYP1A2
SCHEMBL97716 0.81 MCL1 (0.39) PNMTTAAR1MCL1KMT2AMEN1
SCHEMBL12841593 0.76 SKP2 (0.46) PNMTTAAR1FFAR4KMT2ASIGMAR1
SCHEMBL7458179 0.75 PNMT (0.41) PNMTTAAR1MCL1KMT2ASIGMAR1
SCHEMBL29434783 0.75 ALDH1A1 (0.47) PNMTTAAR1MCL1FFAR1FFAR4
SCHEMBL12333663 0.75 ALDH1A1 (0.47) PNMTTAAR1MCL1FFAR1FFAR4
SCHEMBL27875845 0.75 PNMT (0.41) PNMTTAAR1MCL1FFAR1FFAR4
SCHEMBL3840980 0.75 TAAR1 (0.67) PNMTTAAR1SIGMAR1CYP1A2ALDH1A1
SCHEMBL27693979 0.74 IAPP (0.49) MCL1FFAR1FFAR4KDM4AKDM5A
SCHEMBL14465785 0.74 S1PR1 (0.37) TAAR1MCL1KMT2AMEN1ALDH1A1

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
CN-101208344-B (R) -N-methylnaltrexone, method for the synthesis thereof and pharmaceutical use thereof PROGENICS PHARM INC 2012-10-24 CN disclosed
EP-2450359-A2 (R)-N-Methylnaltrexone Progenics Pharmaceuticals, Inc. (US) 2012-05-09 EP 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 (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-20130323286-A1 SYNTHESIS OF R-N-METHYLNALTREXONE OPRM1, OPRK1, OPRL1 PNMT 6/4885TAAR1 494/4885MCL1 3216/4885
US-20170143700-A1 SYNTHESIS OF (R)-N-METHYLNALTREXONE OPRM1, OPRL1, OPRK1 PNMT 6/4885TAAR1 335/4885MCL1 3597/4885
US-20150057303-A1 SYNTHESIS OF (R)-N-METHYLNALTREXONE OPRM1, OPRL1, OPRK1 PNMT 6/4885TAAR1 335/4885MCL1 3597/4885
US-20150290187-A1 SYNTHESIS OF (R)-N-METHYLNALTREXONE OPRM1, OPRL1, OPRK1 PNMT 6/4885TAAR1 335/4885MCL1 3597/4885

“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.