SCHEMBL1947552

SCHEMBL1947552

COc1ccc(C2CNCCCN2c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 4/20 0.44
▸ HTR2B P41595 4/20 0.44
▸ MAPK1 P28482 2/20 0.43
▸ ADRA2C P18825 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ MAOA P21397 1/20 0.42
▸ SLC6A2 P23975 2/20 0.41
▸ SLC6A4 P31645 2/20 0.41
▸ SLC6A3 Q01959 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ S1PR4 O95977 1/20 0.40
▸ S1PR1 P21453 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RXFP1 Q9HBX9 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
SCHEMBL12574924 0.86 MAOB (0.45) MAOASLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL1945934 0.86 SLC6A2 (0.50) HTR2CHTR2BMAPK1SLC6A2SLC6A4
SCHEMBL11779811 0.83 MAPK1 (0.47) MAPK1GAAL3MBTL1MAOAALDH1A1
SCHEMBL1945287 0.83 SLC6A2 (0.44) HTR2CHTR2BMAPK1GAAL3MBTL1
SCHEMBL1946852 0.82 HTR3A (0.44) HTR2CHTR2BSLC6A2SLC6A4SLC6A3
SCHEMBL1948166 0.80 ADRB1 (0.48) HTR2CMAPK1GAAL3MBTL1MAOA
SCHEMBL11434944 0.79 ADRB1 (0.47) HTR2CHTR2BMAPK1GAAL3MBTL1
SCHEMBL1944636 0.79 HTR2C (0.52) HTR2CHTR2BMAPK1GAAALDH1A1
SCHEMBL7366527 0.77 L3MBTL1 (0.63) HTR2CHTR2BGAAL3MBTL1MAOA
SCHEMBL164537 0.77 SLC6A2 (0.59) HTR2CHTR2BSLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507215-A1 DIPHENYL AZEPINE DERIVATIVES AS MONOAMINE REUPTAKE INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-10-10 — — EP claimed
WO-2011067219-A1 DIPHENYL AZEPINE DERIVATIVES AS MONOAMINE REUPTAKE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 — — WO claimed
EP-2507215-A1 DIPHENYL AZEPINE DERIVATIVES AS MONOAMINE REUPTAKE INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-10-10 — — EP disclosed
WO-2011067219-A1 DIPHENYL AZEPINE DERIVATIVES AS MONOAMINE REUPTAKE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-09 — — WO disclosed
US-20110136787-A1 DIPHENYL AZEPANE, DIAZEPANE AND OXAZEPANE DERIVATIVES AND USES THEREOF SCHOENFELD RYAN CRAIG 2011-06-09 — — US disclosed
US-20110136787-A1 DIPHENYL AZEPANE, DIAZEPANE AND OXAZEPANE DERIVATIVES AND USES THEREOF SCHOENFELD RYAN CRAIG 2011-06-09 — — 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-20110136787-A1 DIPHENYL AZEPANE, DIAZEPANE AND OXAZEPANE DERIVATIVES AND USES THEREOF PTGDR2, PTGDR, TBXA2R HTR2C 146/4885HTR2B 220/4885MAPK1 2886/4885

“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.

Send feedback