SCHEMBL1172003

SCHEMBL1172003

Cc1nnc(C(=O)c2cccc(-c3cccc(OCc4ccccc4)c3)c2)o1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 3/20 0.54
▸ MAOB P27338 1/20 0.51
▸ NR4A2 P43354 2/20 0.51
▸ SRD5A2 P31213 1/20 0.51
▸ NR1H4 Q96RI1 1/20 0.51
▸ PTGER4 P35408 1/20 0.49
▸ SMPD1 P17405 2/20 0.46
▸ DHODH Q02127 1/20 0.46
▸ VDR P11473 1/20 0.45
▸ ERN1 O75460 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL12826507 0.83 NR1H4 (0.51) NR1H4SMPD1DHODHSMN1; SMN2
SCHEMBL16137689 0.79 KMT2A (0.47) MRGPRX4MAOBNR4A2SRD5A2
SCHEMBL16115770 0.79 MRGPRX4 (0.47) MRGPRX4MAOBNR4A2SRD5A2KDM4E
SCHEMBL1171850 0.78 MRGPRX4 (0.65) MRGPRX4MAOBNR4A2SRD5A2NR1H4
SCHEMBL12745857 0.77 CNR2 (0.45) DHODHNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL12863942 0.76 POLB (0.50) MRGPRX4MAOBNR4A2PTGER4DHODH
SCHEMBL1172431 0.76 CES2 (0.54) KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL3911336 0.76 MRGPRX4 (0.62) MRGPRX4MAOBNR4A2SRD5A2NR1H4
SCHEMBL7908051 0.74 SRD5A2 (0.85) MRGPRX4MAOBNR4A2SRD5A2NR1H4
SCHEMBL12746075 0.74 LMNA (0.71) MRGPRX4PTGER4SMN1; SMN2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102622-B2 Fatty acid amide hydrolase inhibitors UNIVERSITY OF CONNECTICUT (US) 2015-08-11 — — US disclosed
US-9102622-B2 Fatty acid amide hydrolase inhibitors UNIVERSITY OF CONNECTICUT (US) 2015-08-11 — — US disclosed
US-20110071178-A1 Methods and Compounds for Modulating Cannabinoid Activity NORTHEASTERN UNIVERSITY (US) 2011-03-24 — — US disclosed
US-20110071178-A1 Methods and Compounds for Modulating Cannabinoid Activity NORTHEASTERN UNIVERSITY (US) 2011-03-24 — — US disclosed
US-20110039874-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR MODULATION OF CANNABINOID ACTIVITY NORTHEASTERN UNIVERSITY (US) 2011-02-17 — — US disclosed
US-20110039874-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR MODULATION OF CANNABINOID ACTIVITY NORTHEASTERN UNIVERSITY (US) 2011-02-17 — — US disclosed
US-20100234379-A1 Dual modulation of endocannabinoid transport and fatty-acid amide hydrolase for treatment of excitotoxicity CONNECTICUT, UNIVERSITY OF 2010-09-16 — — US disclosed
US-20100234379-A1 Dual modulation of endocannabinoid transport and fatty-acid amide hydrolase for treatment of excitotoxicity CONNECTICUT, UNIVERSITY OF 2010-09-16 — — US disclosed
US-20090306016-A1 FATTY ACID AMIDE HYDROLASE INHIBITORS UNIVERSITY OF CONNECTICUT 2009-12-10 — — US disclosed
US-20090306016-A1 FATTY ACID AMIDE HYDROLASE INHIBITORS UNIVERSITY OF CONNECTICUT 2009-12-10 — — 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-20110039874-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR MODULATION OF CANNABINOID ACTIVITY MGLL, FAAH, FAAH2 MRGPRX4 158/4885MAOB 151/4885NR4A2 1893/4885
US-20090306016-A1 FATTY ACID AMIDE HYDROLASE INHIBITORS FAAH, FAAH2, CNR2 MRGPRX4 40/4885MAOB 100/4885NR4A2 728/4885
US-20100234379-A1 Dual modulation of endocannabinoid transport and fatty-acid amide hydrolase for treatment of excitotoxicity FAAH, FAAH2, CNR2 MRGPRX4 592/4885MAOB 916/4885NR4A2 1727/4885
US-20110071178-A1 Methods and Compounds for Modulating Cannabinoid Activity FAAH, FAAH2, CNR2 MRGPRX4 177/4885MAOB 139/4885NR4A2 1509/4885

“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.

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