SCHEMBL5858801

SCHEMBL5858801

COc1ccccc1N1CCN(CC[C@@H](c2ccccc2F)[C@H](O)C2CCCCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.53
HTR1D P28221 2/20 0.49
HTR2B P41595 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
DRD2 P14416 1/20 0.48
ADRA1A P35348 1/20 0.48
DRD3 P35462 1/20 0.48

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
SCHEMBL5859373 1.00 HTR1A (0.53) HTR1AHTR1DHTR2BKDM4EALDH1A1
SCHEMBL5858732 1.00 HTR1A (0.53) HTR1AHTR1DHTR2BKDM4EALDH1A1
SCHEMBL5858360 1.00 HTR1A (0.53) HTR1AHTR1DHTR2BKDM4EALDH1A1
SCHEMBL5858707 1.00 HTR1A (0.53) HTR1AHTR1DHTR2BKDM4EALDH1A1
SCHEMBL5469176 0.89 HTR1A (0.48) HTR1AHTR1DHTR2BKDM4EALDH1A1
SCHEMBL5475350 0.89 HTR1A (0.48) HTR1AHTR1DHTR2BKDM4EALDH1A1
SCHEMBL5486049 0.89 HTR1A (0.48) HTR1AHTR1DHTR2BKDM4EALDH1A1
SCHEMBL5858315 0.87 ADRA1A (0.42) HTR1AHTR1DADRA1A
SCHEMBL5858106 0.87 ADRA1A (0.42) HTR1AHTR1DADRA1A
SCHEMBL5861380 0.87 ADRA1A (0.42) HTR1AHTR1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060148821-A1 N,N-disubstituted diazocycloalkanes RECORDATI S.A. (CH) 2006-07-06 US claimed
EP-1515961-A1 N,N-DISUBSTITUTED DIAZOCYCLOALKANES USEFUL FOR THE TREATMENT OF CNS DISORDERS DUE TO SEROTONERGIC DYSFUNCTION Recordati Ireland Limited (IE) 2005-03-23 EP claimed
US-20040072822-A1 N,N-disubstituted diazocycloalkanes RECORDATI S.A. (CH) 2004-04-15 US claimed
WO-2003106444-A1 N,N-DISUBSTITUTED DIAZOCYCLOALKANES USEFUL FOR THE TREATMENT OF CNS DISORDERS DUE TO SEROTONERGIC DYSFUNCTION RECORDATI S.A. (CH) 2003-12-24 WO claimed
US-20060148821-A1 N,N-disubstituted diazocycloalkanes RECORDATI S.A. (CH) 2006-07-06 US disclosed
US-7071197-B2 N,N-disubstituted diazocycloalkanes RECORDATI S.A. (CH) 2006-07-04 US disclosed
EP-1515961-A1 N,N-DISUBSTITUTED DIAZOCYCLOALKANES USEFUL FOR THE TREATMENT OF CNS DISORDERS DUE TO SEROTONERGIC DYSFUNCTION Recordati Ireland Limited (IE) 2005-03-23 EP disclosed
US-20040072822-A1 N,N-disubstituted diazocycloalkanes RECORDATI S.A. (CH) 2004-04-15 US disclosed
US-20040072839-A1 1-Phenylalkylpiperazines RECORDATI S.A. (CH) 2004-04-15 US disclosed
WO-2003106444-A1 N,N-DISUBSTITUTED DIAZOCYCLOALKANES USEFUL FOR THE TREATMENT OF CNS DISORDERS DUE TO SEROTONERGIC DYSFUNCTION RECORDATI S.A. (CH) 2003-12-24 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 (3 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-20040072822-A1 N,N-disubstituted diazocycloalkanes HTR1D, HTR1A, HTR2C HTR1A 2/4885HTR1D 1/4885HTR2B 27/4885
US-20040072839-A1 1-Phenylalkylpiperazines HTR5A, HTR1A, HTR1D HTR1A 2/4885HTR1D 3/4885HTR2B 11/4885
US-20060148821-A1 N,N-disubstituted diazocycloalkanes HTR1A, HTR1D, HTR2C HTR1A 1/4885HTR1D 2/4885HTR2B 22/4885

“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.