SCHEMBL6474802

SCHEMBL6474802

COc1cccc(O)c1N1CCN(CCCN2C(=O)C3CC=CCC3C2=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.49
HTR7 P34969 3/20 0.49
DRD3 P35462 3/20 0.49
HTR1A P08908 4/20 0.48
HTR2A P28223 2/20 0.48
HSD17B10 Q99714 2/20 0.47
ALDH1A1 P00352 2/20 0.47
ADRA1D P25100 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
ALOX12 P18054 1/20 0.47
KMT2A Q03164 1/20 0.47
HIF1A Q16665 1/20 0.47
USP2 O75604 1/20 0.46
HTR6 P50406 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GLA P06280 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
Hydrochloric Acid SCHEMBL7098285 0.99 HTR7 (0.48) DRD2HTR7DRD3HTR1AHTR2A
Hydrochloric Acid SCHEMBL6211688 0.88 HTR7 (0.46) DRD2HTR7DRD3HTR1AHTR2A
SCHEMBL6240084 0.83 DRD2 (0.71) DRD2HTR7DRD3HTR1AHTR2A
Hydrochloric Acid SCHEMBL7105041 0.82 DRD2 (0.70) DRD2HTR7DRD3HTR1AHTR2A
SCHEMBL6483189 0.80 HTR7 (0.56) DRD2HTR7HTR1AHTR2AALDH1A1
Hydrochloric Acid SCHEMBL7102140 0.79 HTR7 (0.55) DRD2HTR7HTR1AHTR2AALDH1A1
SCHEMBL5822783 0.79 HTR1A (0.60) DRD2HTR7DRD3HTR1AHTR2A
Hydrochloric Acid SCHEMBL5814738 0.78 HTR1A (0.59) DRD2HTR7DRD3HTR1AHTR2A
SCHEMBL6483051 0.77 DRD2 (0.54) DRD2HTR7DRD3HTR1AHTR2A
SCHEMBL5424217 0.77 DRD2 (0.54) DRD2HTR7DRD3HTR1AHTR2A

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
US-6914064-B2 1,4-Disubstituted piperazine derivatives useful as uro-selective α1-adrenoceptor blockers RANBAXY LABORATORIES LIMITED (IN) 2005-07-05 US claimed
EP-1339682-A1 1,4-DISUBSTITUTED PIPERAZINE DERIVATIVES USEFUL AS URO-SELECTIVE $G(A)1-ADRENOCEPTOR BLOCKERS RANBAXY LABORATORIES, LTD. (IN) 2003-09-03 EP claimed
US-20020156085-A1 1,4-Disubstituted piperazine derivatives useful as uro-selective alpha1-adrenoceptor blockers RANBAXY LABORATORIES LIMITED (IN) 2002-10-24 US claimed
WO-2002044151-A1 1,4-DISUBSTITUTED PIPERAZINE DERIVATIVES USEFUL AS URO-SELECTIVE $G(A)1-ADRENOCEPTOR BLOCKERS RANBAXY LABORATORIES LIMITED (IN) 2002-06-06 WO claimed
US-6914064-B2 1,4-Disubstituted piperazine derivatives useful as uro-selective α1-adrenoceptor blockers RANBAXY LABORATORIES LIMITED (IN) 2005-07-05 US disclosed
US-20020156085-A1 1,4-Disubstituted piperazine derivatives useful as uro-selective alpha1-adrenoceptor blockers RANBAXY LABORATORIES LIMITED (IN) 2002-10-24 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-20020156085-A1 1,4-Disubstituted piperazine derivatives useful as uro-selective alpha1-adrenoceptor blockers ADRB1, ADRB2, ADRA1B DRD2 491/4885HTR7 426/4885DRD3 838/4885

“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.