SCHEMBL5430709

SCHEMBL5430709

COc1ccc(N2CCN(CCCCc3ccc4c(c3)OCO4)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.57
ADRA1D P25100 3/20 0.57
ADRA1A P35348 3/20 0.57
ADRA1B P35368 3/20 0.57
DRD4 P21917 1/20 0.57
MAPT P10636 2/20 0.56
TSHR P16473 2/20 0.56
MEN1 O00255 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
MAPK1 P28482 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ADRA2A P08913 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL5440813 0.97 DRD2 (0.61) DRD2ADRA1DADRA1AADRA1BDRD4
SCHEMBL5430193 0.92 ADRA1D (0.67) DRD2ADRA1DADRA1AADRA1BMAPT
SCHEMBL5435824 0.85 KDM4E (0.72) DRD2ADRA1DADRA1AADRA1BDRD4
SCHEMBL5442120 0.85 HTR1A (0.62) DRD2ADRA1DADRA1AADRA1BDRD4
SCHEMBL5440770 0.85 MAPT (0.65) DRD2ADRA1DADRA1AADRA1BMAPT
SCHEMBL5423905 0.84 MAPT (0.79) DRD2ADRA1AMAPTTSHRMEN1
SCHEMBL11102735 0.84 MAPT (0.64) DRD2ADRA1DADRA1AADRA1BMAPT
SCHEMBL5427956 0.81 KDM4E (0.73) DRD2ADRA1DADRA1AADRA1BDRD4
SCHEMBL5436548 0.81 SIGMAR1 (0.61) DRD2ADRA1DADRA1AADRA1BDRD4
SCHEMBL5430198 0.81 MAPT (0.67) DRD2ADRA1DADRA1AADRA1BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120232094-A1 USE OF ADRENERGIC N-PHENYLPIPERAZINE ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND METHODS OF PREPARING THEM SOARES ROMEIRO LUIZ ANTONIO (BR) 2012-09-13 US claimed
US-20120232094-A1 USE OF ADRENERGIC N-PHENYLPIPERAZINE ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND METHODS OF PREPARING THEM SOARES ROMEIRO LUIZ ANTONIO (BR) 2012-09-13 US disclosed
US-20070219213-A1 Use of Adrenergic N-Phenylpiperazine Antagonists, Pahrmaceutical Compositions Containning Them, and Methods of Preparing Them UNIAO BRASILIENSE DE EDUCACAO E CULTURA-UBEC (BR) 2007-09-20 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 (2 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-20120232094-A1 USE OF ADRENERGIC N-PHENYLPIPERAZINE ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND METHODS OF PREPARING THEM ADRB1, ADRA1D, ADRA1A DRD2 80/4885ADRA1D 2/4885ADRA1A 3/4885
US-20070219213-A1 Use of Adrenergic N-Phenylpiperazine Antagonists, Pahrmaceutical Compositions Containning Them, and Methods of Preparing Them ADRA1D, ADRB1, ADRA1A DRD2 134/4885ADRA1D 1/4885ADRA1A 3/4885

“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.