SCHEMBL2183799

SCHEMBL2183799

CN1CCc2cc(N3C[C@H](CN)OC3=O)ccc2C1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.50
HTR6 P50406 5/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
GRM2 Q14416 4/20 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
SCHEMBL2183807 1.00 F10 (0.50) F10HTR6MAOAMAOBGRM2
SCHEMBL2184137 0.88 MAOA (0.55) HTR6MAOAMAOBGRM2
SCHEMBL2184129 0.88 MAOA (0.55) HTR6MAOAMAOBGRM2
SCHEMBL9447681 0.85 F10 (0.53) F10HTR6MAOAMAOBGRM2
SCHEMBL9447636 0.85 F10 (0.53) F10HTR6MAOAMAOBGRM2
SCHEMBL6191925 0.84 F10 (0.55) F10HTR6MAOAMAOBGRM2
SCHEMBL3718329 0.83 HTR6 (0.46) F10HTR6MAOAMAOB
SCHEMBL2184784 0.83 GRM2 (0.41) F10HTR6MAOAMAOBGRM2
SCHEMBL3718323 0.82 HTR6 (0.45) F10HTR6MAOAMAOB
SCHEMBL14334740 0.79 NR1H2 (0.49) F10MAOAMAOB

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 F10 981/4885HTR6 3859/4885MAOA 297/4885

“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.