SCHEMBL2553685

SCHEMBL2553685

O=C(O)NCc1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.65
LMNA P02545 4/20 0.63
ALDH1A1 P00352 3/20 0.62
RAB9A P51151 2/20 0.62
PLA2G1B P04054 2/20 0.61
ATG4B Q9Y4P1 2/20 0.61
KMT2A Q03164 3/20 0.61
NPC1 O15118 1/20 0.61
POLB P06746 1/20 0.61
MAOB P27338 1/20 0.61
CYP1A2 P05177 2/20 0.59
CYP2C19 P33261 2/20 0.59
HPGD P15428 3/20 0.58
TP53 P04637 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.54

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
SCHEMBL184560 0.94 HTT (0.59) HTTLMNAALDH1A1RAB9APLA2G1B
SCHEMBL20497349 0.94 HTT (0.59) HTTLMNAALDH1A1RAB9APLA2G1B
SCHEMBL11533429 0.89 CYP2C9 (0.65) HTTLMNAALDH1A1RAB9AKMT2A
SCHEMBL6468546 0.84 RAB9A (0.68) HTTLMNAALDH1A1RAB9APLA2G1B
SCHEMBL18415459 0.84 LMNA (0.66) HTTLMNAALDH1A1RAB9APLA2G1B
SCHEMBL13860778 0.83 HTT (0.61) HTTLMNAALDH1A1RAB9APLA2G1B
SCHEMBL23607918 0.83 KDM4E (0.59) HTTLMNAALDH1A1RAB9APLA2G1B
SCHEMBL8602062 0.82 CYP2C9 (0.59) HTTLMNAALDH1A1RAB9AKMT2A
SCHEMBL20911008 0.82 RAB9A (0.75) HTTLMNAALDH1A1RAB9APLA2G1B
SCHEMBL5318410 0.81 LMNA (0.61) HTTLMNAALDH1A1RAB9APLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2895482-B1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2016-10-19 EP claimed
EP-2707371-B1 NEW HEXAHYDROPYRROLOIMIDAZOLONE COMPOUNDS HOFFMANN LA ROCHE (CH) 2016-04-20 EP claimed
US-9315475-B2 HIV protease inhibitors MERCK SHARP & DOHME CORP. (US) 2016-04-19 US claimed
EP-2895482-A1 HIV PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-07-22 EP claimed
US-20140200197-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2014-07-17 US claimed
WO-2014043019-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-03-20 WO claimed
EP-2707371-A1 NEW HEXAHYDROPYRROLOIMIDAZOLONE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2014-03-19 EP claimed
US-8497288-B2 Hexahydropyrroloimidazolone compounds HOFFMANN-LA ROCHE INC. (US) 2013-07-30 US claimed
US-8440710-B2 HSL inhibitors useful in the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2013-05-14 US claimed
CN-102858743-A Spiro-condensed cyclohexane derivatives as HSL inhibitors useful for the treatment of diabetes HOFFMANN LA ROCHE 2013-01-02 CN claimed
EP-2488493-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. Hoffmann-La Roche AG (CH) 2012-08-22 EP claimed
WO-2011045292-A1 SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2011-04-21 WO claimed
EP-1893200-B1 CARBAMATE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2010-09-29 EP claimed
EP-2054408-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL Novartis Ag (CH) 2009-05-06 EP claimed
US-20090082399-A1 Carbamate derivatives as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2009-03-26 US claimed
WO-2008127349-A2 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DISEASES RELATED TO ELEVATED LIPID LEVEL NOVARTIS AG (CH) 2008-10-23 WO claimed
EP-1893200-A2 CARBAMATE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2008-03-05 EP claimed
US-7166587-B2 Carbamic acid alkyl ester derivatives HOFFMANN-LA ROCHE INC. (US) 2007-01-23 US claimed
WO-2006123244-A2 CARBAMATE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2006-11-23 WO claimed
US-20050075327-A1 Carbamic acid alkyl ester derivatives HOFFMAN-LA ROCHE INC. 2005-04-07 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20050075327-A1 Carbamic acid alkyl ester derivatives BCHE, CHRM1, ADCY7 HTT 328/4885LMNA 3445/4885ALDH1A1 1434/4885
US-20090082399-A1 Carbamate derivatives as positive allosteric modulators of metabotropic glutamate receptors GRM5, GRIK5, GRM1 HTT 1786/4885LMNA 4748/4885ALDH1A1 4812/4885
US-20140200197-A1 HIV PROTEASE INHIBITORS SERPINB1, PREP, PRSS1 HTT 4397/4885LMNA 2669/4885ALDH1A1 2437/4885

“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.