SCHEMBL4584305

SCHEMBL4584305

COC(=O)c1ccc(-c2ccc(CCN(Cc3ccccc3)C[C@@H](OC3CCCCO3)c3ccccc3)cc2)cc1NC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.37
AVPR1A P37288 1/20 0.37
ADRB3 P13945 9/20 0.35
ADRB1 P08588 5/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC1 Q13547 1/20 0.34
ABCG2 Q9UNQ0 2/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MGLL Q99685 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4584301 1.00 OXTR (0.37) OXTRAVPR1AADRB3ADRB1CHRNB2
SCHEMBL4584648 0.89 OXTR (0.38) OXTRAVPR1AADRB3ADRB1MGLL
SCHEMBL4584643 0.89 OXTR (0.38) OXTRAVPR1AADRB3ADRB1MGLL
SCHEMBL4584687 0.87 OXTR (0.36) OXTRAVPR1AADRB3ADRB1KMT2A
SCHEMBL4584691 0.87 OXTR (0.36) OXTRAVPR1AADRB3ADRB1KMT2A
SCHEMBL4583977 0.81 ADRB3 (0.42) ADRB3ADRB1LMNAMEN1KMT2A
SCHEMBL4583975 0.81 ADRB3 (0.42) ADRB3ADRB1LMNAMEN1KMT2A
SCHEMBL5703727 0.81 ADRB3 (0.38) ADRB3ADRB1CHRNB2CHRNB4CHRNA3
SCHEMBL4584673 0.78 PPARG (0.36) OXTRAVPR1AADRB3ADRB1MGLL
SCHEMBL4584676 0.78 PPARG (0.36) OXTRAVPR1AADRB3ADRB1MGLL

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 218/4885ADRB3 86/4885

“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.