SCHEMBL984528

SCHEMBL984528

CCCOc1ccc2c(c1)OCO2

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.68
MAOA P21397 4/20 0.62
RAB9A P51151 3/20 0.59
NPC1 O15118 2/20 0.59
MAPT P10636 2/20 0.56
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
EDNRB P24530 1/20 0.51
EDNRA P25101 1/20 0.51
TSHR P16473 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
SCHEMBL984460 0.93 MAOB (0.68) MAOBMAOARAB9ANPC1MAPT
SCHEMBL22221556 0.90 MAOB (0.64) MAOBMAOARAB9ANPC1MAPT
SCHEMBL13534204 0.89 MAOB (0.68) MAOBMAOARAB9ANPC1MAPT
SCHEMBL107322 0.89 MAOB (0.83) MAOBMAOARAB9ANPC1MAPT
SCHEMBL14382267 0.88 MAOB (0.62) MAOBMAOARAB9ANPC1MAPT
SCHEMBL108114 0.87 MAOB (0.74) MAOBMAOARAB9ANPC1MAPT
SCHEMBL13534217 0.86 MAOB (0.59) MAOBMAOARAB9ANPC1MAPT
SCHEMBL1276632 0.85 MAOB (0.66) MAOBMAOARAB9ANPC1MAPT
SCHEMBL984344 0.85 MAOB (0.62) MAOBMAOARAB9ANPC1MAPT
SCHEMBL11802724 0.85 MAOB (0.72) MAOBMAOARAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102892492-A Delivery particle PROCTER & GAMBLE 2013-01-23 CN claimed
CN-102892492-B Delivery of particles THE PROCTER & GAMBLE CO. (US) 2016-02-24 CN disclosed
EP-2607362-B1 Piperidine and piperazine carboxylates as FAAH inhibitors ASTELLAS PHARMA INC (JP) 2014-12-31 EP disclosed
EP-1849773-B1 Piperazine derivatives for the treatment of urinary incontinence and pain ASTELLAS PHARMA INC (JP) 2013-10-16 EP disclosed
US-8445501-B2 Substituted 7-carboxamido-pyrrolo[3,2-d]pyrimidines TAKEDA GMBH (DE) 2013-05-21 US disclosed
CN-102892492-A Delivery particle PROCTER & GAMBLE 2013-01-23 CN disclosed
CN-102858944-A Delivery particles PROCTER & GAMBLE 2013-01-02 CN disclosed
US-8217119-B2 Additives for halopolymers SOLVAY SOLEXIS S.P.A. (IT) 2012-07-10 US disclosed
US-20110251175-A1 Stigmine Conjugates for Substance Use Disorders COLUCID PHARMACEUTICALS, INC. 2011-10-13 US disclosed
US-7919495-B2 Pyridyl non-aromatic nitrogen-containing heterocyclic-1-carboxylate compound ASTELLAS PHARMA, INC. (JP) 2011-04-05 US disclosed
US-7517904-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-14 US disclosed
US-7517904-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-14 US disclosed
US-7470797-B2 Fused heterocyclic imido and amido compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-7470797-B2 Fused heterocyclic imido and amido compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-20080306046-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Derivative FMC CORPORATION (US) 2008-12-11 US disclosed
US-20080306046-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Derivative FMC CORPORATION (US) 2008-12-11 US disclosed
EP-1854798-A2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function Bristol-Myers Squibb Company (US) 2007-11-14 EP disclosed
EP-1319007-B9 FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2007-10-10 EP disclosed
US-7169786-B2 Isoxazoline derivatives as anti-depressants JANSSEN-CILAG S.A. (ES) 2007-01-30 US disclosed
US-7169786-B2 Isoxazoline derivatives as anti-depressants JANSSEN-CILAG S.A. (ES) 2007-01-30 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 (2 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-20110251175-A1 Stigmine Conjugates for Substance Use Disorders TACR2, NPSR1, TACR3 MAOB 703/4885MAOA 476/4885RAB9A 1414/4885
US-20080306046-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Derivative FAAH, FAAH2, APEH MAOB 156/4885MAOA 192/4885RAB9A 2309/4885

“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.