SCHEMBL6140089

SCHEMBL6140089

CCOC(=O)c1ccc(N2CCC(NCCC(O)COc3ccc(OCc4ccccc4)c([S+](C)[O-])c3)CC2)nc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.41
SGPL1 O95470 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
LMNA P02545 2/20 0.38
DGAT1 O75907 1/20 0.38
USP30 Q70CQ3 4/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
OGA O60502 1/20 0.35
CCR8 P51685 1/20 0.35
DGAT2 Q96PD7 1/20 0.35
RAD52 P43351 1/20 0.35

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
SCHEMBL7467859 0.93 LMNA (0.45) P2RY12HRH3LMNADGAT1ALDH1A1
SCHEMBL5243498 0.84 LMNA (0.48) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL6139555 0.82 LMNA (0.42) LMNADGAT1ALDH1A1MAPTMEN1
SCHEMBL7560376 0.81 LMNA (0.56) P2RY12HRH3LMNADGAT1ALDH1A1
SCHEMBL7472518 0.81 LMNA (0.45) P2RY12HRH3LMNADGAT1ALDH1A1
SCHEMBL7470650 0.81 LMNA (0.46) P2RY12HRH3LMNADGAT1ALDH1A1
SCHEMBL6140070 0.81 ALDH1A1 (0.47) LMNAUSP30NPC1ALDH1A1MAPT
SCHEMBL7461831 0.81 LMNA (0.46) P2RY12HRH3LMNADGAT1ALDH1A1
SCHEMBL7458989 0.81 HRH3 (0.43) P2RY12HRH3LMNAUSP30OGA
SCHEMBL6139717 0.76 HSD17B10 (0.40) HRH3USP30ALDH1A1

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 P2RY12 1651/4885SGPL1 1217/4885HRH3 36/4885

“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.