SCHEMBL4585246

SCHEMBL4585246

O=[N+]([O-])c1ccc([C@@H](O)CNCCOc2ccc(I)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
KCNH2 Q12809 1/20 0.53
ALOX15 P16050 1/20 0.49
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
ACHE P22303 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRB1 P08588 2/20 0.42
ADRB3 P13945 2/20 0.42
ADRB2 P07550 1/20 0.42

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
SCHEMBL9662530 0.94 DRD2 (0.59) DRD2DRD4DRD3KCNH2ALOX15
SCHEMBL11499048 0.79 NPC1 (0.44) DRD2DRD4DRD3KCNH2ALOX15
SCHEMBL28180186 0.77 MAPT (0.56) DRD2DRD4DRD3KCNH2ALDH1A1
SCHEMBL18045551 0.77 KCNH2 (0.82) DRD2DRD4DRD3KCNH2ALDH1A1
SCHEMBL16796557 0.76 NPC1 (0.60) NPC1ALDH1A1MEN1KMT2AMAPT
SCHEMBL1681357 0.76 NPC1 (0.60) NPC1ALDH1A1MEN1KMT2AMAPT
SCHEMBL16796551 0.76 NPC1 (0.60) NPC1ALDH1A1MEN1KMT2AMAPT
SCHEMBL11742685 0.75 NPC1 (0.58) NPC1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL4584463 0.75 KCNH2 (0.49) KCNH2ALDH1A1MEN1KMT2AMAPT
SCHEMBL4584459 0.75 KCNH2 (0.49) KCNH2ALDH1A1MEN1KMT2AMAPT

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-7417060-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2008-08-26 US disclosed
EP-1697301-A2 AMINOALCOHOL DERIVATIVES Astellas Pharma Inc. (JP) 2006-09-06 EP disclosed
WO-2005061433-A2 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2005-07-07 WO disclosed
US-20050137236-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-23 US 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-20050137236-A1 Aminoalcohol derivatives GPR39, PRMT9, CHRM2 DRD2 226/4885DRD4 1457/4885DRD3 177/4885

“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.