SCHEMBL3598239

SCHEMBL3598239

Cc1cccc(CCNCCC(=O)N(CCNCCc2ccc(O)c(CO)c2)C2CCCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 11/20 0.53
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.38
TACR1 P25103 1/20 0.37
MC4R P32245 2/20 0.37
MC5R P33032 2/20 0.37
MC3R P41968 2/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL3593749 0.91 SMYD2 (0.61) SMYD2L3MBTL1
SCHEMBL3598104 0.90 SMYD2 (0.53) SMYD2L3MBTL1
SCHEMBL3597011 0.86 SMYD2 (0.51) SMYD2L3MBTL1POLBTACR1MC4R
SCHEMBL2210723 0.81 ADRB2 (0.54) SMYD2
SCHEMBL2213786 0.81 ADRB2 (0.54) SMYD2
SCHEMBL3584341 0.81 SMYD2 (0.54) SMYD2
SCHEMBL3598782 0.81 SMYD2 (0.54) SMYD2
SCHEMBL3599007 0.81 SMYD2 (0.62) SMYD2L3MBTL1
SCHEMBL13533758 0.81 SMYD2 (0.49) SMYD2L3MBTL1POLBTACR1MC4R
SCHEMBL2213040 0.81 ADRB2 (0.54) SMYD2

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-20120142646-A1 Novel Compounds 621 ASTRAZENECA AB (SE) 2012-06-07 US disclosed
US-20100056508-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ASTRAZENECA AB (SE) 2010-03-04 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 (2 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-20120142646-A1 Novel Compounds 621 AR, ADRA1D, ADRA1B SMYD2 3203/4885L3MBTL1 2855/4885POLB 3878/4885
US-20100056508-A1 AMINE DERIVATIVES AND THEIR USE IN BETA-2-ADRENORECEPTOR MEDIATED DISEASES ADRB2, ADRB1, ADRA2A SMYD2 1024/4885L3MBTL1 2364/4885POLB 3331/4885

“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.