SCHEMBL443690

SCHEMBL443690

O=C(N1CCN(Cc2ccc3ccccc3n2)CC1)n1cnc(-c2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.57
GRIN2B Q13224 1/20 0.43
MCHR1 Q99705 1/20 0.41
MGLL Q99685 2/20 0.41
DRD4 P21917 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40

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
SCHEMBL425588 0.82 DRD2 (0.54) FAAHMGLLDRD4KDM4EALDH1A1
SCHEMBL27824207 0.82 FAAH (0.72) FAAHGRIN2BMCHR1MGLLHTR1A
SCHEMBL19293990 0.79 FAAH (0.47) FAAHKDM4EALDH1A1
SCHEMBL19281781 0.78 FAAH (0.58) FAAHMGLLDRD4KDM4EALDH1A1
SCHEMBL3592480 0.78 FAAH (0.74) FAAHGRIN2BMCHR1HTR1AHTR7
SCHEMBL15217937 0.75 FAAH (0.69) FAAHGRIN2BMCHR1HTR1AHTR7
SCHEMBL425593 0.74 GAA (0.47) FAAHMGLLDRD4KDM4EALDH1A1
SCHEMBL1331198 0.74 FAAH (0.65) FAAHMCHR1DRD4MAPTHTR1A
SCHEMBL17289123 0.74 FAAH (0.65) FAAHMCHR1DRD4MAPTHTR1A
SCHEMBL425475 0.74 TACR3 (0.53) FAAHMGLLALDH1A1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US claimed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US claimed
EP-2382012-A2 PHARMACEUTICAL COMPOUNDS Bial-Portela & CA, S.A. (PT) 2011-11-02 EP claimed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 WO claimed
EP-2606035-B1 PROCES FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA S A (PT) 2017-09-06 EP disclosed
US-9458111-B2 Process for the synthesis of substituted urea compounds BIAL—PORTELA & CA, S.A. (PT) 2016-10-04 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20160139162-A1 Inhibitors Of Fatty Acid Amide Hydrolase And Monoacylglycerol Lipase For Modulation Of Cannabinoid Receptors NORTHEASTERN UNIVERSITY 2016-05-19 US disclosed
US-20160139162-A1 Inhibitors Of Fatty Acid Amide Hydrolase And Monoacylglycerol Lipase For Modulation Of Cannabinoid Receptors NORTHEASTERN UNIVERSITY 2016-05-19 US disclosed
US-20160139162-A1 Inhibitors Of Fatty Acid Amide Hydrolase And Monoacylglycerol Lipase For Modulation Of Cannabinoid Receptors NORTHEASTERN UNIVERSITY 2016-05-19 US disclosed
US-9271962-B2 Inhibitors of fatty acid amide hydrolase and monoacylglycerol lipase for modulation of cannabinoid receptors NORTHEASTERN UNIVERSITY (US) 2016-03-01 US disclosed
US-9271962-B2 Inhibitors of fatty acid amide hydrolase and monoacylglycerol lipase for modulation of cannabinoid receptors NORTHEASTERN UNIVERSITY (US) 2016-03-01 US disclosed
WO-2012015324-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA, S.A. (PT) 2012-02-02 WO disclosed
EP-2382012-A2 PHARMACEUTICAL COMPOUNDS Bial-Portela & CA, S.A. (PT) 2011-11-02 EP disclosed
US-20110166138-A1 Inhibitors of Fatty Acid Amide Hydrolase and Monoacylglycerol Lipase for Modulation of Cannabinoid Receptors NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-07-07 US disclosed
US-20110166138-A1 Inhibitors of Fatty Acid Amide Hydrolase and Monoacylglycerol Lipase for Modulation of Cannabinoid Receptors NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-07-07 US disclosed
US-20110166138-A1 Inhibitors of Fatty Acid Amide Hydrolase and Monoacylglycerol Lipase for Modulation of Cannabinoid Receptors NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2011-07-07 US disclosed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 WO disclosed
WO-2009117444-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE AND MONOACYLGLYCEROL LIPASE FOR MODULATION OF CANNABINOID RECEPTORS NORTHEASTERN UNIVERSITY (US) 2009-09-24 WO disclosed
WO-2009117444-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE AND MONOACYLGLYCEROL LIPASE FOR MODULATION OF CANNABINOID RECEPTORS NORTHEASTERN UNIVERSITY (US) 2009-09-24 WO 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 FAAH 1/4885GRIN2B 2279/4885MCHR1 2099/4885
US-20110166138-A1 Inhibitors of Fatty Acid Amide Hydrolase and Monoacylglycerol Lipase for Modulation of Cannabinoid Receptors FAAH, FAAH2, MGLL FAAH 1/4885GRIN2B 661/4885MCHR1 560/4885

“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.