SCHEMBL2702138

SCHEMBL2702138

O=[C]CCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.55
MIF P14174 1/20 0.50
MAOB P27338 1/20 0.48
DAO P14920 6/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
IDO1 P14902 2/20 0.44
KIF11 P52732 1/20 0.42
KMT2A Q03164 1/20 0.42
FFAR1 O14842 1/20 0.41
FDFT1 P37268 1/20 0.41

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
SCHEMBL3244842 0.88 TAAR1 (0.52) TAAR1MIFMAOBDAOHDAC1
SCHEMBL4609264 0.86 HDAC1 (0.53) TAAR1MIFMAOBDAOHDAC1
SCHEMBL3245715 0.85 HDAC1 (0.51) TAAR1MIFMAOBDAOHDAC1
SCHEMBL9206133 0.82 GFER (0.36) TAAR1MAOBKMT2AFFAR1
SCHEMBL934227 0.79 TAAR1 (0.73) TAAR1MIFMAOBDAOHDAC1
SCHEMBL6140813 0.79 TAAR1 (0.55) TAAR1MIFMAOBDAOHDAC1
SCHEMBL4716530 0.79 TAAR1 (0.55) TAAR1MIFMAOBDAOHDAC1
SCHEMBL1838110 0.79 DAO (0.45) TAAR1MIFDAOIDO1
SCHEMBL3246600 0.78 TAAR1 (0.54) TAAR1MIFMAOBDAOHDAC1
SCHEMBL5541700 0.77 TAAR1 (0.61) TAAR1MIFMAOBDAOHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0480918-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1992-04-22 EP claimed
EP-0480918-A4 REDUCED SIZE LHRH ANALOGS. ABBOTT LAB (US) 1991-06-04 EP claimed
EP-0417454-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1991-03-20 EP claimed
WO-1989007451-A1 REDUCED SIZE LHRH ANALOGS ABBOTT LABORATORIES (US) 1989-08-24 WO claimed
EP-0328089-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 EP claimed
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
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP 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
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 TAAR1 494/4885MIF 1978/4885MAOB 607/4885
US-20170143700-A1 SYNTHESIS OF (R)-N-METHYLNALTREXONE OPRM1, OPRL1, OPRK1 TAAR1 335/4885MIF 1748/4885MAOB 448/4885
US-20150057303-A1 SYNTHESIS OF (R)-N-METHYLNALTREXONE OPRM1, OPRL1, OPRK1 TAAR1 335/4885MIF 1748/4885MAOB 448/4885
US-20150290187-A1 SYNTHESIS OF (R)-N-METHYLNALTREXONE OPRM1, OPRL1, OPRK1 TAAR1 335/4885MIF 1748/4885MAOB 448/4885

“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.