SCHEMBL1945840

SCHEMBL1945840

c1ccc([C@H]2CCNCC[C@@H]2c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.67
SIGMAR1 Q99720 1/20 0.67
KDM1A O60341 8/20 0.58
MAOB P27338 7/20 0.58
CISD1 Q9NZ45 1/20 0.58
SLC6A2 P23975 1/20 0.58
HTR1B P28222 1/20 0.58
HTR2A P28223 1/20 0.58
SLC6A4 P31645 1/20 0.58
MAOA P21397 5/20 0.53
HRH1 P35367 1/20 0.48
GBA1 P04062 1/20 0.48
CYP2C19 P33261 2/20 0.46
CYP2B6 P20813 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL1944998 1.00 SLC18A3 (0.67) SLC18A3SIGMAR1KDM1AMAOBCISD1
SCHEMBL1944661 1.00 SLC18A3 (0.67) SLC18A3SIGMAR1KDM1AMAOBCISD1
SCHEMBL1944988 1.00 SLC18A3 (0.67) SLC18A3SIGMAR1KDM1AMAOBCISD1
Hydrochloric Acid SCHEMBL1958164 0.98 SLC18A3 (0.64) SLC18A3SIGMAR1KDM1AMAOBCISD1
Hydrochloric Acid SCHEMBL1956461 0.98 SLC18A3 (0.64) SLC18A3SIGMAR1KDM1AMAOBCISD1
Hydrochloric Acid SCHEMBL1948184 0.98 SLC18A3 (0.64) SLC18A3SIGMAR1KDM1AMAOBCISD1
SCHEMBL10682790 0.89 KDM1A (0.54) SLC18A3SIGMAR1KDM1AMAOBCISD1
SCHEMBL6438894 0.89 KDM1A (0.54) SLC18A3SIGMAR1KDM1AMAOBCISD1
SCHEMBL6438889 0.89 KDM1A (0.54) SLC18A3SIGMAR1KDM1AMAOBCISD1
SCHEMBL10682798 0.89 KDM1A (0.54) SLC18A3SIGMAR1KDM1AMAOBCISD1

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 7 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
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 SLC18A3 2022/4885SIGMAR1 1078/4885KDM1A 752/4885

“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.