SCHEMBL4811216

SCHEMBL4811216

O=C(Cl)C1(c2cccc(F)c2)CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.48
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
SLC6A2 P23975 1/20 0.47
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HDAC6 Q9UBN7 3/20 0.44
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HDAC4 P56524 2/20 0.43

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
SCHEMBL3219884 0.85 AKR1C1 (0.62) P2RX7PSEN1PSEN2APH1BNCSTN
SCHEMBL435932 0.85 AKR1C1 (0.62) P2RX7PSEN1PSEN2APH1BNCSTN
SCHEMBL16266715 0.84 LMNA (0.54) P2RX7PSEN1PSEN2APH1BNCSTN
SCHEMBL30487797 0.83 AKR1C1 (0.65) P2RX7SLC6A4SLC6A3SLC6A2LMNA
SCHEMBL2079237 0.83 AKR1C1 (0.65) P2RX7SLC6A4SLC6A3SLC6A2LMNA
SCHEMBL28173850 0.81 HDAC4 (0.66) LMNANPSR1HDAC6HDAC3HDAC1
SCHEMBL1427933 0.80 LMNA (0.55) P2RX7PSEN1PSEN2APH1BNCSTN
SCHEMBL28595250 0.80 SLC6A4 (0.49) SLC6A4SLC6A3SLC6A2HDAC6HDAC3
SCHEMBL29886254 0.80 SLC6A4 (0.49) SLC6A4SLC6A3SLC6A2HDAC6HDAC3
SCHEMBL2535205 0.80 AKR1C1 (0.59) P2RX7LMNATSHRNPSR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465719-B2 Carbamic acid compounds comprising an ester or ketone linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2008-12-16 US disclosed
US-20060276505-A1 Acylhydrazine P2X7 antagonists and uses thereof ABBOTT LABORATORIES 2006-12-07 US disclosed
WO-2006110516-A1 ACYLHYDRAZIDE P2X7 ANTAGONISTS AND USES THEREOF ABBOTT LABORATORIES (US) 2006-10-19 WO disclosed
US-20060058282-A1 Carbamic acid compounds comprising an ester or ketone linkage as hdac inhibitors TOPOTARGET UK LIMITED (GB) 2006-03-16 US disclosed
EP-1583736-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN ESTER OR KETONE LINKAGE AS HDAC INHIBITORS TopoTarget UK Limited (GB) 2005-10-12 EP disclosed
WO-2004065354-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN ESTER OR KETONE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2004-08-05 WO 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-20060058282-A1 Carbamic acid compounds comprising an ester or ketone linkage as hdac inhibitors HDAC1, HDAC7, HDAC11 P2RX7 4166/4885PSEN1 4010/4885PSEN2 4393/4885
US-20060276505-A1 Acylhydrazine P2X7 antagonists and uses thereof P2RX7, P2RX3, P2RX1 P2RX7 1/4885PSEN1 2420/4885PSEN2 2763/4885

“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.