SCHEMBL12198271

SCHEMBL12198271

COc1ccc(C2(F)CCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.53
MAOA P21397 1/20 0.53
SLC6A4 P31645 6/20 0.47
SLC6A3 Q01959 5/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRL1 P41146 1/20 0.46
SLC6A2 P23975 1/20 0.41
BACE1 P56817 3/20 0.40
ACHE P22303 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL9764560 0.83 MAOB (0.34) MAOBMAOASLC6A4SLC6A3GRIN1
SCHEMBL10320739 0.77 SLC6A4 (0.49) MAOBMAOASLC6A4SLC6A3GRIN1
SCHEMBL4087081 0.75 SLC6A4 (0.47) MAOBMAOASLC6A4SLC6A3GRIN1
SCHEMBL11972187 0.75 SLC6A4 (0.51) MAOBMAOASLC6A4SLC6A3GRIN1
SCHEMBL10319703 0.75 OPRM1 (0.55) MAOBMAOASLC6A4SLC6A3GRIN1
SCHEMBL20790283 0.75 SLC6A4 (0.47) MAOBMAOASLC6A4SLC6A3GRIN1
SCHEMBL12808406 0.74 BACE1 (0.57) MAOBMAOASLC6A4SLC6A3GRIN1
Hydrochloric Acid SCHEMBL18742725 0.73 SLC6A4 (0.50) MAOBMAOASLC6A4SLC6A3GRIN1
SCHEMBL24922660 0.73 CA1 (0.55) MAOBMAOASLC6A4SLC6A3GRIN1
SCHEMBL10112733 0.72 SLC6A4 (0.58) MAOBMAOASLC6A4SLC6A3GRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575168-B2 Compounds and compositions as modulators of GPR119 activity IRM LLC (BM) 2013-11-05 US disclosed
US-20110245220-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-10-06 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 (1 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-20110245220-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 MAOB 2379/4885MAOA 2404/4885SLC6A4 1429/4885

“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.