SCHEMBL6454773

SCHEMBL6454773

NC(=O)c1cccc(CCO)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.42
MBOAT4 Q96T53 1/20 0.42
BRD4 O60885 1/20 0.38
PARP1 P09874 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ACMSD Q8TDX5 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CBLB Q13191 1/20 0.37
OPRM1 P35372 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
DGAT1 O75907 1/20 0.36
P2RX7 Q99572 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
SCN9A Q15858 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 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
SCHEMBL29049785 0.85 PIM1 (0.42) PIM1MBOAT4BRD4PARP1NPSR1
SCHEMBL28693450 0.85 KCNH2 (0.48) PIM1MBOAT4BRD4NPSR1KDM4E
SCHEMBL2829094 0.85 PIM1 (0.44) PIM1MBOAT4BRD4PARP1NPSR1
SCHEMBL3935225 0.84 MBOAT4 (0.47) PIM1MBOAT4BRD4PARP1NPSR1
SCHEMBL21200377 0.83 KDM4E (0.59) BRD4KDM4EALOX15TSHRACMSD
Potassium Ion SCHEMBL16834372 0.81 PTGER1 (0.41) BRD4NPSR1KDM4EALOX15TSHR
SCHEMBL30487682 0.81 PIM1 (0.44) PIM1MBOAT4BRD4PARP1NPSR1
SCHEMBL2891884 0.81 PIM1 (0.44) PIM1MBOAT4BRD4PARP1NPSR1
SCHEMBL2929438 0.81 KCNH2 (0.53) PIM1MBOAT4BRD4PARP1NPSR1
Hydrochloric Acid SCHEMBL3984366 0.79 PIM1 (0.43) PIM1MBOAT4BRD4PARP1NPSR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050148631-A1 Amino heterocyclyl inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AGOURON PHARMACEUTICALS, INC. 2005-07-07 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-20050148631-A1 Amino heterocyclyl inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B11, HSD11B2 PIM1 3583/4885MBOAT4 3115/4885BRD4 2961/4885

“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.