SCHEMBL4523636

SCHEMBL4523636

O=C(CN1CCN(c2ccccc2OCC(F)(F)F)CC1)CN1C(=O)C2CC=CCC2C1=O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 9/20 0.47
ADRA1B P35368 9/20 0.47
ADRA1D P25100 8/20 0.47
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR7 P34969 1/20 0.41
TSHR P16473 1/20 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 SCHEMBL4524492 0.99 ADRA1A (0.46) ADRA1AADRA1BADRA1DRAB9ANPC1
SCHEMBL6209669 0.86 ADRA1A (0.52) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
SCHEMBL4537964 0.85 RAB9A (0.48) RAB9ANPC1TSHR
Hydrochloric Acid SCHEMBL6409558 0.85 ADRA1A (0.52) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
SCHEMBL4532411 0.85 RAB9A (0.60) ADRA1AADRA1BADRA1DRAB9ANPC1
Hydrochloric Acid SCHEMBL4514646 0.84 RAB9A (0.47) RAB9ANPC1TSHR
Hydrochloric Acid SCHEMBL4523999 0.84 RAB9A (0.59) ADRA1AADRA1BADRA1DRAB9ANPC1
SCHEMBL4526501 0.83 HTR1A (0.47) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL6406164 0.83 ADRA1A (0.57) ADRA1AADRA1BADRA1DCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL4531915 0.83 HTR1A (0.48) ADRA1AADRA1BHTR7

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 ADRA1A 3/4885ADRA1B 6/4885ADRA1D 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.