SCHEMBL7782280

SCHEMBL7782280

COc1ccccc1N1CCN(CC2CCCN(C(=O)C3CCCCC3)C2)CC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.61
HTR1A P08908 3/20 0.61
ADRA1D P25100 1/20 0.61
ADRA1B P35368 1/20 0.61
DRD2 P14416 2/20 0.55
DRD3 P35462 2/20 0.55
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HTR1D P28221 1/20 0.52
HTR2B P41595 1/20 0.52

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
SCHEMBL7776926 0.89 ADRA1A (0.67) ADRA1AHTR1AADRA1DADRA1BDRD2
SCHEMBL7781578 0.85 DRD2 (0.62) ADRA1AHTR1AADRA1DADRA1BDRD2
SCHEMBL4473040 0.84 KDM4E (0.54) ADRA1AHTR1AADRA1DADRA1BDRD2
SCHEMBL7801405 0.83 DRD2 (0.55) ADRA1AHTR1AADRA1DADRA1BDRD2
SCHEMBL13698446 0.82 DRD2 (0.61) ADRA1AHTR1AADRA1DADRA1BDRD2
SCHEMBL13919809 0.79 DRD2 (0.57) ADRA1AHTR1AADRA1DADRA1BDRD2
SCHEMBL4490404 0.78 DRD2 (0.58) ADRA1AHTR1AADRA1DADRA1BDRD2
SCHEMBL13919815 0.78 DRD2 (0.60) ADRA1AHTR1AADRA1DADRA1BDRD2
SCHEMBL13373129 0.77 ACKR3 (0.58) ADRA1AHTR1AADRA1DADRA1BKDM4E
SCHEMBL13372998 0.77 ACKR3 (0.58) ADRA1AHTR1AADRA1DADRA1BKDM4E

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-1140838-A1 1, 4-PIPERAZINE DERIVATIVES HAVING 5HT1A RECEPTOR ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP claimed
US-20010014680-A1 1,4-piperazine derivatives WYETH 2001-08-16 US claimed
US-6255302-B1 NERVOUS SYSTEM, PSYCHOLOGICAL DISORDERS AMERICAN HOME PRODUCTS CORPORATION 2001-07-03 US claimed
WO-2000035878-A1 1,4-PIPERAZINE DERIVATIVES HAVING 5HT1A RECEPTOR ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-22 WO claimed
US-20010014680-A1 1,4-piperazine derivatives WYETH 2001-08-16 US disclosed
US-6255302-B1 NERVOUS SYSTEM, PSYCHOLOGICAL DISORDERS AMERICAN HOME PRODUCTS CORPORATION 2001-07-03 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-20010014680-A1 1,4-piperazine derivatives ADH1A, ADH1C, SNCA ADRA1A 38/4885HTR1A 8/4885ADRA1D 18/4885

“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.