SCHEMBL4961970

SCHEMBL4961970

O=C(NC1CCCCC1)C1(c2ccc(Cl)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
EPHX1 P07099 4/20 0.57
HDAC4 P56524 1/20 0.56
HSD11B1 P28845 6/20 0.54
ALDH1A1 P00352 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.49
AVPR1A P37288 2/20 0.48
IDO1 P14902 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL25464161 0.91 HDAC4 (0.65) POLBEPHX1HDAC4HSD11B1ALDH1A1
SCHEMBL25464152 0.91 HDAC4 (0.65) POLBEPHX1HDAC4HSD11B1ALDH1A1
SCHEMBL25464591 0.89 HDAC4 (0.67) POLBEPHX1HDAC4HSD11B1ALDH1A1
SCHEMBL31045569 0.87 POLB (0.48) POLBEPHX1HDAC4HSD11B1ALDH1A1
SCHEMBL4964872 0.87 HDAC4 (0.51) HDAC4HSD11B1NPC1RAB9AL3MBTL1
SCHEMBL31045917 0.84 HDAC4 (0.49) HDAC4HSD11B1AVPR1AKCNH2
SCHEMBL31045722 0.84 HDAC4 (0.49) HDAC4HSD11B1AVPR1AKCNH2
SCHEMBL25464156 0.82 IDO1 (0.54) POLBHDAC4HSD11B1ALDH1A1AVPR1A
SCHEMBL31045657 0.82 USP30 (0.52) HDAC4HSD11B1ALDH1A1
SCHEMBL6406617 0.81 HDAC4 (0.52) HDAC4HSD11B1ALDH1A1SMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773780-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-09 EP claimed
EP-1773780-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-04-18 EP claimed
WO-2006012227-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO claimed
US-20050288338-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2005-12-29 US claimed
EP-1773780-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-09 EP disclosed
EP-1773780-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-04-18 EP disclosed
WO-2006012227-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO disclosed
US-20050288338-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2005-12-29 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-20050288338-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 POLB 2445/4885EPHX1 375/4885HDAC4 1710/4885

“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.