SCHEMBL5133734

SCHEMBL5133734

O=C(NCC1CCCC[C@H]1O)C1(c2ccc(Cl)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.49
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
HSD11B1 P28845 11/20 0.45
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
EPHX1 P07099 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC18A3 Q16572 1/20 0.40
AVPR1A P37288 1/20 0.40
KCNH2 Q12809 1/20 0.40
TRPA1 O75762 1/20 0.40

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
SCHEMBL6406617 0.77 HDAC4 (0.52) HDAC4ALDH1A1SMN1; SMN2HSD11B1LMNA
SCHEMBL6408662 0.75 HDAC4 (0.52) HDAC4ALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL4961970 0.72 POLB (0.57) HDAC4ALDH1A1SMN1; SMN2HSD11B1NPC1
SCHEMBL3135707 0.72 P2RX7 (0.40) SMN1; SMN2NPC1RAB9AEPHX1AVPR1A
SCHEMBL3135716 0.72 P2RX7 (0.40) SMN1; SMN2NPC1RAB9AEPHX1AVPR1A
SCHEMBL13313619 0.72 P2RX7 (0.40) SMN1; SMN2NPC1RAB9AEPHX1AVPR1A
SCHEMBL3135713 0.72 P2RX7 (0.40) SMN1; SMN2NPC1RAB9AEPHX1AVPR1A
SCHEMBL24180973 0.71 HTT (0.58) HDAC4ALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL17285705 0.70 HDAC4 (0.65) HDAC4ALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL2867587 0.70 ALDH1A1 (0.69) HDAC4ALDH1A1SMN1; SMN2KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HDAC4 1710/4885ALDH1A1 345/4885SMN1; SMN2 3497/4885

“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.