SCHEMBL5481090

SCHEMBL5481090

COc1ccccc1N1CCN(CCC(C(=O)C2CCCCC2)c2ccccc2F)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.58
HTR2B P41595 2/20 0.58
HTR1D P28221 1/20 0.58
ADRA1A P35348 5/20 0.56
DRD2 P14416 2/20 0.56
DRD3 P35462 2/20 0.56
DRD4 P21917 3/20 0.51
ADRA1D P25100 3/20 0.51
ADRA1B P35368 3/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51
HTR1B P28222 1/20 0.51
HTR7 P34969 1/20 0.51

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
SCHEMBL5858332 0.88 HTR1A (0.44) HTR1AHTR2BHTR1DADRA1ADRD2
SCHEMBL5475907 0.87 HTR1A (0.52) HTR1AHTR2BHTR1DADRA1ADRD2
SCHEMBL5475905 0.87 HTR1A (0.52) HTR1AHTR2BHTR1DADRA1ADRD2
SCHEMBL5372555 0.87 HTR1A (0.73) HTR1AHTR2BHTR1DADRA1ADRD2
SCHEMBL5389828 0.87 HTR1A (0.73) HTR1AHTR2BHTR1DADRA1ADRD2
SCHEMBL5473416 0.86 HTR1A (0.51) HTR1AHTR2BHTR1DADRA1ADRD2
SCHEMBL5473410 0.86 HTR1A (0.51) HTR1AHTR2BHTR1DADRA1ADRD2
SCHEMBL5478896 0.86 HTR1A (0.51) HTR1AHTR2BHTR1DADRA1ADRD2
SCHEMBL5478890 0.86 HTR1A (0.51) HTR1AHTR2BHTR1DADRA1ADRD2
Hydrochloric Acid SCHEMBL6435545 0.86 HTR1A (0.72) HTR1AHTR2BHTR1DADRA1ADRD2

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
US-20070270436-A1 NOVEL AMINO- AND IMINO-ALKYLPIPERAZINES RECORDATI IRELAND LIMITED (IE) 2007-11-22 US disclosed
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-1549627-A1 1-PHENYLALKYL-PIPERAZINES Recordati Ireland Limited (IE) 2005-07-06 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-2003106443-A1 1-PHENYLALKYL-PIPERAZINES 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 (4 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 2/4885HTR2B 27/4885HTR1D 1/4885
US-20040072839-A1 1-Phenylalkylpiperazines HTR5A, HTR1A, HTR1D HTR1A 2/4885HTR2B 11/4885HTR1D 3/4885
US-20070270436-A1 NOVEL AMINO- AND IMINO-ALKYLPIPERAZINES HTR5A, HTR1A, HTR2C HTR1A 2/4885HTR2B 9/4885HTR1D 6/4885
US-20060148821-A1 N,N-disubstituted diazocycloalkanes HTR1A, HTR1D, HTR2C HTR1A 1/4885HTR2B 22/4885HTR1D 2/4885

“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.