SCHEMBL12879202

SCHEMBL12879202

CCCCOc1cccc(-c2cccc(C#N)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.57
▸ CYP11B2 P19099 1/20 0.57
▸ GABRG2 P18507 2/20 0.52
▸ GABRB3 P28472 2/20 0.52
▸ GABRA5 P31644 2/20 0.52
▸ GABRA3 P34903 2/20 0.52
▸ CYP1A2 P05177 1/20 0.51
▸ CYP19A1 P11511 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ HRH2 P25021 1/20 0.51
▸ HRH1 P35367 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ LTA4H P09960 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NR1H4 Q96RI1 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
SCHEMBL1070542 0.91 CYP11B1 (0.55) CYP11B1CYP11B2HRH1LTA4HKDM4E
SCHEMBL9682289 0.86 CNR1 (0.49) CYP11B1CYP11B2GABRG2GABRB3GABRA5
SCHEMBL10289405 0.86 TSHR (0.57) CYP11B1CYP11B2LTA4HKDM4EALDH1A1
SCHEMBL197506 0.85 CYP19A1 (0.64) CYP1A2CYP19A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL921871 0.85 LTA4H (0.56) CYP11B1CYP11B2LTA4HTSHRPLA2G4B
SCHEMBL25168671 0.84 TSHR (0.59) CYP11B1CYP11B2LTA4HKDM4EALDH1A1
SCHEMBL14034743 0.84 TSHR (0.59) CYP11B1CYP11B2LTA4HKDM4EALDH1A1
SCHEMBL6957299 0.84 TSHR (0.59) CYP11B1CYP11B2LTA4HKDM4EALDH1A1
SCHEMBL6960220 0.84 TSHR (0.59) CYP11B1CYP11B2LTA4HKDM4EALDH1A1
SCHEMBL8215774 0.84 CYP11B1 (0.47) CYP11B1CYP11B2GABRG2GABRB3GABRA5

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 7 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-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-20090306016-A1 FATTY ACID AMIDE HYDROLASE INHIBITORS UNIVERSITY OF CONNECTICUT 2009-12-10 — — US disclosed
WO-2009052320-A1 METHODS AND COMPOUNDS FOR MODULATING CANNABINOID ACTIVITY NORTHEASTERN UNIVERSITY (US) 2009-04-23 — — WO disclosed
WO-2009052319-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR MODULATION OF CANNABINOID ACTIVITY NORTHEASTERN UNIVERSITY (US) 2009-04-23 — — WO disclosed
WO-2008013963-A2 FATTY ACID AMIDE HYDROLASE INHIBITORS UNIVERSITY OF CONNECTICUT (US) 2008-01-31 — — 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 (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-20110039874-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR MODULATION OF CANNABINOID ACTIVITY MGLL, FAAH, FAAH2 CYP11B1 2700/4885CYP11B2 3204/4885GABRG2 220/4885
US-20090306016-A1 FATTY ACID AMIDE HYDROLASE INHIBITORS FAAH, FAAH2, CNR2 CYP11B1 1192/4885CYP11B2 1437/4885GABRG2 371/4885
US-20100234379-A1 Dual modulation of endocannabinoid transport and fatty-acid amide hydrolase for treatment of excitotoxicity FAAH, FAAH2, CNR2 CYP11B1 2390/4885CYP11B2 2394/4885GABRG2 463/4885

“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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