SCHEMBL4538417

SCHEMBL4538417

O=C1CCCC(=O)N1CCCN1CCN(c2cc(F)ccc2OC2CCCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 8/20 0.48
ADRA1A P35348 6/20 0.48
ADRA1D P25100 5/20 0.48
HTR1A P08908 8/20 0.47
HTR7 P34969 5/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
DRD2 P14416 2/20 0.44
CHRM1 P11229 1/20 0.42
KCNH2 Q12809 1/20 0.42
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41

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 SCHEMBL4530220 0.99 ADRA1B (0.48) ADRA1BADRA1AADRA1DHTR1AHTR7
SCHEMBL5592125 0.97 ADRA1B (0.48) ADRA1BADRA1AADRA1DHTR1AHTR7
Hydrochloric Acid SCHEMBL5592167 0.96 ADRA1B (0.50) ADRA1BADRA1AADRA1DHTR1AHTR7
SCHEMBL5592300 0.94 HTR1A (0.52) ADRA1BADRA1AADRA1DHTR1AHTR7
Hydrochloric Acid SCHEMBL5592119 0.93 HTR1A (0.51) ADRA1BADRA1AADRA1DHTR1AHTR7
SCHEMBL5422270 0.88 HTR1A (0.49) ADRA1BADRA1AADRA1DHTR1AHTR7
SCHEMBL4522960 0.87 HTR1A (0.61) ADRA1BADRA1AADRA1DHTR1AHTR7
Hydrochloric Acid SCHEMBL5416920 0.87 HTR1A (0.49) ADRA1BADRA1AADRA1DHTR1AHTR7
SCHEMBL5425702 0.87 HTR1A (0.49) ADRA1BADRA1AADRA1DHTR1AHTR7
Hydrochloric Acid SCHEMBL4524619 0.86 HTR1A (0.60) ADRA1BADRA1AADRA1DHTR1AHTR7

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-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 ADRA1B 6/4885ADRA1A 3/4885ADRA1D 1/4885

“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.