SCHEMBL4517551

SCHEMBL4517551

O=C1C2CC=CCC2C(=O)N1CC(O)CN1CCN(c2cc(F)ccc2OC2CCCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.41
HTR7 P34969 12/20 0.41
DRD2 P14416 11/20 0.41
HTR6 P50406 2/20 0.39
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
PDE4D Q08499 3/20 0.37
PER2 O15055 1/20 0.36

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
SCHEMBL4537694 0.94 HTR1A (0.42) HTR1AHTR7DRD2HTR6DRD1
Hydrochloric Acid SCHEMBL4528897 0.93 HTR1A (0.43) HTR1AHTR7DRD2HTR6DRD1
SCHEMBL4517476 0.91 HTR1A (0.41) HTR1AHTR7DRD2HTR6DRD1
Hydrochloric Acid SCHEMBL4514047 0.90 HTR1A (0.41) HTR1AHTR7DRD2HTR6DRD1
Phosphoric Acid SCHEMBL5301610 0.90 HTR1A (0.40) HTR1AHTR7DRD2HTR6DRD1
Cadaverine Tartrate SCHEMBL5331439 0.89 HTR1A (0.39) HTR1AHTR7DRD2HTR6DRD1
Succinic Acid SCHEMBL5297213 0.89 HTR1A (0.39) HTR1AHTR7DRD2HTR6DRD1
Phosphoric Acid SCHEMBL5330436 0.88 HTR1A (0.39) HTR1AHTR7DRD2HTR6DRD1
Fumaric Acid SCHEMBL5293758 0.88 HTR1A (0.39) HTR1AHTR7DRD2HTR6DRD1
Maleic Acid SCHEMBL5326858 0.88 HTR1A (0.39) HTR1AHTR7DRD2HTR6DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-17 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-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS ADRA1D, ADRB1, ADRA1A HTR1A 16/4885HTR7 125/4885DRD2 182/4885

“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.