SCHEMBL4532832

SCHEMBL4532832

CC(C)Oc1ccc(F)cc1N1CCN(CCCN2C(=O)C3CC(O)C(F)CC3C2=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.45
HTR1A P08908 3/20 0.45
HTR2A P28223 2/20 0.45
ADRA1A P35348 10/20 0.42
ADRA1B P35368 8/20 0.42
ADRA1D P25100 7/20 0.42
DRD4 P21917 2/20 0.40
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
DRD3 P35462 2/20 0.39

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 SCHEMBL4537655 0.99 HTR1A (0.45) DRD2HTR1AHTR2AADRA1AADRA1B
Phosphoric Acid SCHEMBL5330466 0.97 HTR1A (0.43) DRD2HTR1AHTR2AADRA1AADRA1B
SCHEMBL14541002 0.95 DRD2 (0.48) DRD2HTR1AHTR2AADRA1AADRA1B
SCHEMBL4519413 0.95 DRD2 (0.48) DRD2HTR1AHTR2AADRA1AADRA1B
Succinic Acid SCHEMBL5295477 0.95 DRD2 (0.42) DRD2HTR1AHTR2AADRA1AADRA1B
Hydrochloric Acid SCHEMBL4520297 0.95 DRD2 (0.48) DRD2HTR1AHTR2AADRA1AADRA1B
Cadaverine Tartrate SCHEMBL5326142 0.94 DRD2 (0.41) DRD2HTR1AHTR2AADRA1AADRA1B
Maleic Acid SCHEMBL5328757 0.94 DRD2 (0.41) DRD2HTR1AHTR2AADRA1AADRA1B
Fumaric Acid SCHEMBL5328765 0.94 DRD2 (0.41) DRD2HTR1AHTR2AADRA1AADRA1B
SCHEMBL5326464 0.93 HTR1A (0.50) DRD2HTR1AHTR2AADRA1AADRA1B

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 4 patents. 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 claimed
US-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-17 US disclosed
EP-1758583-A2 ARYLPIPERAZINE DERIVATIVES USEFUL AS ADRENERGIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-03-07 EP disclosed
WO-2005118537-A2 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2005-12-15 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 (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 DRD2 182/4885HTR1A 16/4885HTR2A 22/4885

“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.