SCHEMBL6166729

SCHEMBL6166729

O=Cc1ccccc1OCC(=O)N1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.66
KMT2A Q03164 4/20 0.63
MEN1 O00255 3/20 0.63
PTGDR2 Q9Y5Y4 1/20 0.59
RAB9A P51151 3/20 0.54
KDM4E B2RXH2 2/20 0.54
RXFP1 Q9HBX9 1/20 0.54
PKM P14618 1/20 0.53
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.51
NPC1 O15118 1/20 0.51

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
SCHEMBL21365729 0.87 POLB (0.64) POLBKMT2AMEN1RAB9ARXFP1
SCHEMBL6166972 0.86 MEN1 (0.60) POLBKMT2AMEN1PTGDR2ALDH1A1
SCHEMBL7316803 0.86 FKBP1A (0.67) POLBKMT2AMEN1PTGDR2PKM
SCHEMBL1040183 0.86 KMT2A (0.63) POLBKMT2AMEN1RAB9ARXFP1
SCHEMBL10586023 0.80 TSHR (0.78) POLBKMT2AMEN1RAB9AKDM4E
SCHEMBL21365414 0.79 POLB (0.69) POLBKMT2AMEN1RAB9ARXFP1
SCHEMBL791659 0.79 KMT2A (0.71) POLBKMT2AMEN1RAB9AKDM4E
SCHEMBL5061551 0.79 LMNA (0.56) POLBKMT2AMEN1PTGDR2KDM4E
SCHEMBL23064630 0.79 SMN1; SMN2 (0.66) POLBKMT2AMEN1PTGDR2RAB9A
SCHEMBL12169304 0.78 KMT2A (0.69) POLBKMT2AMEN1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432686-B1 TETRAHYDROISOCHINOLINES, THEIR PRODUCTION AND THE USE THEREOF AS ANALGESICS BAYER HEALTHCARE AG (DE) 2005-06-29 EP disclosed
US-20050049240-A1 Tetrahydroisochinolines, their production and the use thereof as analgesics BAYER HEALTHCARE AG (DE) 2005-03-03 US disclosed
EP-1432686-A1 TETRAHYDROISOCHINOLINES, THEIR PRODUCTION AND THE USE THEREOF AS ANALGESICS Bayer HealthCare AG (DE) 2004-06-30 EP disclosed
WO-2003029221-A1 TETRAHYDROISOCHINOLINES, THEIR PRODUCTION AND THE USE THEREOF AS ANALGESICS BAYER HEALTHCARE AG (DE) 2003-04-10 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 (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-20050049240-A1 Tetrahydroisochinolines, their production and the use thereof as analgesics OPRL1, OPRK1, TPMT POLB 3228/4885KMT2A 2328/4885MEN1 1822/4885

“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.