SCHEMBL2184137

SCHEMBL2184137

CN1CCc2cc(N3CC(CO)OC3=O)ccc2C1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.55
MAOB P27338 3/20 0.55
CALML3 P27482 6/20 0.48
HTR6 P50406 5/20 0.45
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP3A4 P08684 1/20 0.40
GRM2 Q14416 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
SCHEMBL2184129 1.00 MAOA (0.55) MAOAMAOBCALML3HTR6CYP2C19
SCHEMBL2183807 0.88 F10 (0.50) MAOAMAOBHTR6GRM2
SCHEMBL2183799 0.88 F10 (0.50) MAOAMAOBHTR6GRM2
SCHEMBL2184784 0.85 GRM2 (0.41) MAOAMAOBHTR6GRM2
SCHEMBL6192208 0.84 MAOA (0.57) MAOAMAOBCALML3HTR6CYP2C19
SCHEMBL3718329 0.83 HTR6 (0.46) MAOAMAOBHTR6
SCHEMBL3718323 0.82 HTR6 (0.45) MAOAMAOBHTR6
SCHEMBL5452213 0.82 MAOA (0.50) MAOAMAOBCALML3HTR6CYP2C19
SCHEMBL6210958 0.81 MAOA (0.60) MAOAMAOBCALML3
SCHEMBL6210952 0.81 MAOA (0.60) MAOAMAOBCALML3

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
US-8741890-B2 Substituted amides, manufacturing and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-03 US disclosed
US-20110166125-A1 SUBSTITUTED AMIDES, MANUFACTURING AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed
EP-2220079-A2 SUBSTITUTED AMIDES, MANUFACTURING AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2010-08-25 EP disclosed
WO-2009063028-A2 SUBSTITUTED AMIDES, MANUFACTURING AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-22 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 (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-20110166125-A1 SUBSTITUTED AMIDES, MANUFACTURING AND USE THEREOF AS MEDICAMENTS ARG1, P4HA1, ASS1 MAOA 297/4885MAOB 111/4885CALML3 2573/4885

“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.