SCHEMBL5166859

SCHEMBL5166859

Oc1ccc2c(c1)CCNC2Cc1cc(I)cc(I)c1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.71
TBXA2R P21731 5/20 0.71
ADRB1 P08588 1/20 0.71
DRD2 P14416 2/20 0.59
DRD4 P21917 2/20 0.59
KDM1A O60341 1/20 0.59
BCHE P06276 1/20 0.53
MEN1 O00255 1/20 0.52
ABL1 P00519 1/20 0.52
ALPL P05186 1/20 0.52
GAA P10253 1/20 0.52
KMT2A Q03164 1/20 0.52
RIN1 Q13671 1/20 0.52
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL10349438 0.89 DRD2 (0.62) ADRB2TBXA2RADRB1DRD2DRD4
SCHEMBL10802171 0.86 DRD2 (0.63) ADRB2TBXA2RADRB1DRD2DRD4
SCHEMBL10349433 0.84 ADRB2 (0.72) ADRB2DRD2DRD4KDM1ABCHE
SCHEMBL10348905 0.84 DRD2 (0.60) ADRB2TBXA2RDRD2DRD4KDM1A
SCHEMBL5899131 0.83 ADRB2 (1.00) ADRB2TBXA2RADRB1DRD2DRD4
SCHEMBL5919602 0.82 ADRB2 (0.74) ADRB2TBXA2RADRB1DRD2DRD4
SCHEMBL10348610 0.82 DRD2 (0.78) ADRB2TBXA2RDRD2DRD4KDM1A
SCHEMBL10348861 0.82 BCHE (0.61) ADRB2TBXA2RADRB1DRD2DRD4
SCHEMBL10349436 0.81 TBXA2R (0.74) ADRB2TBXA2RADRB1BCHEKDM4E
SCHEMBL10348897 0.78 BCHE (0.74) ADRB2TBXA2RADRB1DRD2DRD4

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
WO-2007036543-A1 BETA-3-AGONIST USE FOR TREATING KIDNEY AND BLADDER TROUBLES OF A PATIENT WITH SPINAL CORD DAMAGES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-04-05 WO disclosed
US-20070078181-A1 Use of a beta-3-agonist for the treatment of patients with spinal cord injury and suffering from renal and bladder complaints MICHEL MARTIN C 2007-04-05 US disclosed
EP-1769792-A1 Use of a beta-3 adrenoceptor agonist for the treatment of renal and bladder problems Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2007-04-04 EP 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-20070078181-A1 Use of a beta-3-agonist for the treatment of patients with spinal cord injury and suffering from renal and bladder complaints ADRB3, ADRB2, ADRB1 ADRB2 2/4885TBXA2R 157/4885ADRB1 3/4885

“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.