SCHEMBL4529090

SCHEMBL4529090

O=C1C2CCC(O)CC2C(=O)N1CCCN1CCN(c2cc(F)ccc2OC2CCCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.45
HTR7 P34969 6/20 0.45
DRD2 P14416 5/20 0.41
HTR2A P28223 4/20 0.41
ADRA1A P35348 5/20 0.40
ADRA1D P25100 3/20 0.40
ADRA1B P35368 3/20 0.40
HTR6 P50406 1/20 0.39
DRD3 P35462 2/20 0.37
LMNA P02545 1/20 0.37
CHRM2 P08172 1/20 0.37
ADRA2A P08913 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD1 P21728 1/20 0.37
TBXA2R P21731 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
OPRM1 P35372 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37

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 SCHEMBL4524573 0.99 HTR1A (0.45) HTR1AHTR7DRD2HTR2AADRA1A
Phosphoric Acid SCHEMBL5303116 0.97 HTR1A (0.43) HTR1AHTR7DRD2HTR2AADRA1A
Succinic Acid SCHEMBL5302060 0.95 HTR1A (0.42) HTR1AHTR7DRD2HTR2AADRA1A
Maleic Acid SCHEMBL5303503 0.94 HTR1A (0.43) HTR1AHTR7DRD2HTR2AADRA1A
Fumaric Acid SCHEMBL5303510 0.94 HTR1A (0.43) HTR1AHTR7DRD2HTR2AADRA1A
Cadaverine Tartrate SCHEMBL5295564 0.94 HTR1A (0.41) HTR1AHTR7DRD2HTR2AADRA1A
SCHEMBL4528194 0.93 HTR1A (0.47) HTR1AHTR7DRD2HTR2AADRA1A
Hydrochloric Acid SCHEMBL4538409 0.92 HTR1A (0.47) HTR1AHTR7DRD2HTR2AADRA1A
SCHEMBL5422270 0.92 HTR1A (0.49) HTR1AHTR7DRD2HTR2AADRA1A
Hydrochloric Acid SCHEMBL5416920 0.91 HTR1A (0.49) HTR1AHTR7DRD2HTR2AADRA1A

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 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.