SCHEMBL4155973

SCHEMBL4155973

N[C@@H]1CCCCC1OCc1ccccc1

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
KCNA5 P22460 1/20 0.44
TACR1 P25103 4/20 0.43
DPP4 P27487 1/20 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
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
IDO1 P14902 1/20 0.41
OPRM1 P35372 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
SCHEMBL4148486 1.00 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL354312 1.00 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL354344 1.00 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1029045 1.00 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1135026 1.00 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1135025 1.00 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL4351377 0.98 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL1135030 0.98 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL4351369 0.98 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL1135049 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-8084630-B2 Process for the synthesis of ramelteon and its intermediates TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2011-12-27 US disclosed
US-20090280544-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2-BENZYLOXYCYCLOHEXYLAMINE BASF SE (DE) 2009-11-12 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 (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-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.