SCHEMBL9748978

SCHEMBL9748978

CN[C@@H]1c2ccccc2CC[C@H]1N1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.54
CHRNA7 P36544 1/20 0.46
HTR1A P08908 2/20 0.43
OPRM1 P35372 2/20 0.42
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
SRD5A1 P18405 3/20 0.41

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
SCHEMBL9748975 1.00 PDPK1 (0.54) PDPK1CHRNA7HTR1AOPRM1OPRD1
SCHEMBL4863623 1.00 PDPK1 (0.54) PDPK1CHRNA7HTR1AOPRM1OPRD1
SCHEMBL4863616 1.00 PDPK1 (0.54) PDPK1CHRNA7HTR1AOPRM1OPRD1
SCHEMBL14367944 0.94 PDPK1 (0.50) PDPK1CHRNA7SIGMAR1
SCHEMBL9701818 0.94 PDPK1 (0.50) PDPK1CHRNA7SIGMAR1
SCHEMBL7620201 0.86 PDPK1 (0.44) PDPK1CHRNA7OPRM1OPRK1
SCHEMBL7620196 0.86 PDPK1 (0.44) PDPK1CHRNA7OPRM1OPRK1
SCHEMBL7620191 0.86 PDPK1 (0.44) PDPK1CHRNA7OPRM1OPRK1
SCHEMBL9813868 0.84 SLC9A3 (0.47) CHRNA7
SCHEMBL7617553 0.84 CHRNA7 (0.45) PDPK1CHRNA7OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080300271-A1 Novel compounds and a novel process for their preparation FAGNOU KEITH 2008-12-04 US disclosed
US-20080300271-A1 Novel compounds and a novel process for their preparation FAGNOU KEITH 2008-12-04 US disclosed
US-7420003-B2 reacting oxabenzonorbornadiene with nucleophiles;in presence of rhodium complex catalyst forming 2-pyrrolidin-1-ol-1,2-dihydronaphthalen-1-ol; drug used as analgesics, Parkinson's disease, anticancer agents; aids ASTRAZENECA AB (SE) 2008-09-02 US disclosed
US-7420003-B2 reacting oxabenzonorbornadiene with nucleophiles;in presence of rhodium complex catalyst forming 2-pyrrolidin-1-ol-1,2-dihydronaphthalen-1-ol; drug used as analgesics, Parkinson's disease, anticancer agents; aids ASTRAZENECA AB (SE) 2008-09-02 US disclosed
EP-0260555-B1 BENZO-FUSED CYCLOALKANE AND OXA- AND THIA-, CYCLOALKANE TRANS-1,2-DIAMINE DERIVATIVES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-04-22 EP disclosed
US-5043350-A Analgesics, diuretics DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-08-27 US disclosed
US-5010085-A Analgesis and/or diuretics E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-04-23 US disclosed
US-4929627-A ANALGESICS, DIURETICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-05-29 US disclosed
US-4876269-A ANALGESICS, DIURETICS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-10-24 US disclosed
EP-0260555-A1 Benzo-fused cycloalkane and oxa- and thia-, cycloalkane trans-1,2-diamine derivatives THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1988-03-23 EP 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-20080300271-A1 Novel compounds and a novel process for their preparation NUDT1, NCL, NUCB2 PDPK1 1513/4885CHRNA7 1464/4885HTR1A 2363/4885

“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.