SCHEMBL6139466

SCHEMBL6139466

CC[S+]([O-])c1cc(OCC(O)CNC2CCN(c3ccc(C(=O)N4CCCCC4)cn3)CC2)ccc1O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 13/20 0.40
ADRB1 P08588 12/20 0.40
ADRB2 P07550 10/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
LMNA P02545 1/20 0.38
PRMT5 O14744 2/20 0.38

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
SCHEMBL6139617 0.93 ADRB3 (0.41) ADRB3ADRB1ADRB2KDM4EALDH1A1
SCHEMBL6139717 0.86 HSD17B10 (0.40) ADRB3KDM4EALDH1A1POLBHPGD
SCHEMBL7470047 0.83 ADRB3 (0.45) ADRB3ADRB1ADRB2CYP3A4CYP2D6
SCHEMBL6139555 0.82 LMNA (0.42) ADRB3ADRB1ADRB2KDM4EALDH1A1
SCHEMBL7458989 0.82 HRH3 (0.43) ADRB3ADRB1ADRB2CYP3A4CYP2D6
SCHEMBL6139691 0.79 ALDH1A1 (0.44) ADRB3ADRB1ADRB2KDM4EALDH1A1
SCHEMBL6139574 0.78 ALDH1A1 (0.46) ADRB3ADRB1ADRB2KDM4EALDH1A1
SCHEMBL7469677 0.75 ADRB1 (0.46) ADRB3ADRB1ADRB2ALDH1A1POLB
SCHEMBL6139556 0.74 POLB (0.39) ADRB3ADRB1ADRB2KDM4EALDH1A1
SCHEMBL6953322 0.74 HRH3 (0.44) ADRB3ADRB1ADRB2CYP3A4CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852736-B2 Phenoxypropanolamines, preparation and therapeutic use thereof SANOFI-SYNTHELABO (FR) 2005-02-08 US disclosed
US-20030105135-A1 Phenoxypropanolamines, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2003-06-05 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-20030105135-A1 Phenoxypropanolamines, preparation and therapeutic use thereof CNR1, ADRB3, ADRB1 ADRB3 2/4885ADRB1 3/4885ADRB2 7/4885

“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.