SCHEMBL4041765

SCHEMBL4041765

NC(=O)Oc1cccc(CCNC[C@H](O)[CH]Cc2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 9/20 0.46
ADRB1 P08588 7/20 0.46
ADRB2 P07550 5/20 0.46
ACHE P22303 4/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2D6 P10635 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL4048154 0.89 BCHE (0.43) MEN1KMT2A
SCHEMBL4037688 0.89 KDM4E (0.46) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL4042381 0.82 ADRB2 (0.59) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL4044458 0.81 ADRB2 (0.39) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL3355569 0.78 BACE1 (0.42) MEN1KMT2A
SCHEMBL4045258 0.77 NR3C2 (0.41) ADRB3ADRB1ADRB2KDM4E
SCHEMBL7591136 0.76 KMT2A (0.42) MEN1KMT2A
SCHEMBL4045744 0.74 LMNA (0.41) ADRB2KDM4ETDP1
SCHEMBL4044662 0.74 ABCB1 (0.39) ADRB3ADRB1ADRB2MEN1KMT2A
SCHEMBL4047020 0.72 SLC1A5 (0.49) ACHEKDM4EALDH1A1

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
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US disclosed
US-7148215-B2 Prodrugs as antihistamines or anticarcinogenic agents AVENTIS PHARMA S.A. (FR) 2006-12-12 US disclosed
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 ADRB3 2130/4885ADRB1 1336/4885ADRB2 2258/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS ADRB3 1437/4885ADRB1 2069/4885ADRB2 2527/4885

“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.