SCHEMBL4152254

SCHEMBL4152254

N[C@@H]1CCCC1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.47
PSEN2 P49810 3/20 0.47
APH1B Q8WW43 3/20 0.47
NCSTN Q92542 3/20 0.47
APH1A Q96BI3 3/20 0.47
PSENEN Q9NZ42 3/20 0.47
DPP4 P27487 1/20 0.42
TACR1 P25103 4/20 0.42
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSK P43235 2/20 0.41
CTSV O60911 1/20 0.41
CTSS P25774 1/20 0.41
CTSC P53634 1/20 0.41
CTSF Q9UBX1 1/20 0.41
KCNA5 P22460 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
IDO1 P14902 1/20 0.41
AGXT P21549 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
SCHEMBL1853519 1.00 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12885644 1.00 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14524983 1.00 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3836108 1.00 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL354350 1.00 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL352622 1.00 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3838685 1.00 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL2581223 0.98 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
Bromide SCHEMBL4698188 0.98 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
Bromide SCHEMBL4698190 0.98 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084630-B2 Process for the synthesis of ramelteon and its intermediates TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2011-12-27 US claimed
EP-2098519-A1 Process for the synthesis of ramelteon and its intermediates Teva Pharmaceutical Industries Ltd. (IL) 2009-09-09 EP claimed
US-20090069581-A1 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-03-12 US claimed
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-12-20 US disclosed
US-8084630-B2 Process for the synthesis of ramelteon and its intermediates TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2011-12-27 US disclosed
EP-2098519-A1 Process for the synthesis of ramelteon and its intermediates Teva Pharmaceutical Industries Ltd. (IL) 2009-09-09 EP disclosed
US-20090069581-A1 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2009-03-12 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-20120322761-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 PSEN1 2098/4885PSEN2 3311/4885APH1B 374/4885
US-20090069581-A1 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES CYP2B6, UGT1A6, CYP2A6 PSEN1 3501/4885PSEN2 2878/4885APH1B 1924/4885

“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.