SCHEMBL12419301

SCHEMBL12419301

CCc1ccccc1B(C)C

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.42
GABRB2 P47870 4/20 0.42
LIPG Q9Y5X9 1/20 0.41
MGLL Q99685 1/20 0.39
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
CYP2D6 P10635 1/20 0.34
ALOX5 P09917 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
CTSB P07858 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7631503 0.82 GABRA1 (0.44) GABRA1GABRB2LIPGMGLLMAPT
SCHEMBL23865072 0.81 GABRA1 (0.39) GABRA1GABRB2LIPGMGLLMAPT
SCHEMBL29468961 0.80 LIPG (0.61) GABRA1GABRB2LIPGMGLLMAPT
SCHEMBL410387 0.80 LIPG (0.61) GABRA1GABRB2LIPGMGLLMAPT
SCHEMBL188466 0.78 GABRA1 (0.41) GABRA1GABRB2LIPGMGLLMAPT
SCHEMBL15077351 0.78 APOBEC3G (0.43) LIPGL3MBTL1CYP2D6GAA
SCHEMBL17345424 0.75 SLC6A4 (0.44) CYP2D6ALDH1A1KMT2A
SCHEMBL25425763 0.74 GABRA1 (0.58) GABRA1GABRB2MGLLMAPTNPSR1
SCHEMBL36294 0.74 GABRA1 (0.58) GABRA1GABRB2MGLLMAPTNPSR1
SCHEMBL19439570 0.74 ENPP2 (0.38) LIPGKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3426653-B1 BICYCLIC COMPOUNDS FOR DIAGNOSIS AND THERAPY AC IMMUNE SA (CH) 2021-12-15 EP disclosed
US-20150368278-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2015-12-24 US disclosed
US-8957049-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2015-02-17 US disclosed
US-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. 2011-07-14 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-20110172186-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 GABRA1 1331/4885GABRB2 1240/4885LIPG 258/4885
US-20150368278-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, ASAH1 GABRA1 1331/4885GABRB2 1240/4885LIPG 258/4885

“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.