SCHEMBL4584687

SCHEMBL4584687

COC(=O)c1ccc(-c2ccc(CCN(Cc3ccccc3)C[C@H](OC3CCCCO3)c3ccccc3)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.36
AVPR1A P37288 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
KMT2A Q03164 1/20 0.34
ADRB3 P13945 10/20 0.34
ADRB1 P08588 4/20 0.34
ABCB1 P08183 1/20 0.33
MGLL Q99685 1/20 0.33
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4584691 1.00 OXTR (0.36) OXTRAVPR1AL3MBTL1KMT2AADRB3
SCHEMBL4584643 0.89 OXTR (0.38) OXTRAVPR1AL3MBTL1ADRB3ADRB1
SCHEMBL4584648 0.89 OXTR (0.38) OXTRAVPR1AL3MBTL1ADRB3ADRB1
SCHEMBL4584301 0.87 OXTR (0.37) OXTRAVPR1AL3MBTL1KMT2AADRB3
SCHEMBL4584305 0.87 OXTR (0.37) OXTRAVPR1AL3MBTL1KMT2AADRB3
SCHEMBL5703933 0.84 OXTR (0.32) OXTRAVPR1AADRB3ADRB1
SCHEMBL4584637 0.81 L3MBTL1 (0.42) L3MBTL1KMT2AADRB3ADRB1ABCB1
SCHEMBL4584644 0.81 L3MBTL1 (0.42) L3MBTL1KMT2AADRB3ADRB1ABCB1
SCHEMBL4584673 0.78 PPARG (0.36) OXTRAVPR1AADRB3ADRB1MGLL
SCHEMBL5703931 0.78 OXTR (0.33) OXTRAVPR1AMGLL

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 OXTR 196/4885AVPR1A 218/4885L3MBTL1 1781/4885

“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.