SCHEMBL4558226

SCHEMBL4558226

CC1(C)CCCCN1Oc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.37
GRIN2A Q12879 3/20 0.37
GRIN2B Q13224 3/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
CYP2B6 P20813 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
PRCP P42785 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
RAB9A P51151 1/20 0.33
LTA4H P09960 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL503366 0.83 GRIN2D (0.39) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B
SCHEMBL6501299 0.76 CA4 (0.34) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B
Alcohol SCHEMBL27455943 0.69 TDP1 (0.35) SIGMAR1OPRM1RAB9AMEN1KMT2A
SCHEMBL26607916 0.68 AR (0.43) GRIN1GRIN2AGRIN2BGRIN2DGRIN3B
SCHEMBL28870942 0.68
SCHEMBL1829382 0.68 LTA4H (0.39) LTA4HMEN1KMT2ATSHRCHRNB4
SCHEMBL1827943 0.68 LTA4H (0.40) KCNH2RAB9ALTA4HTSHRKDM4E
SCHEMBL28643916 0.66 CYP2D6 (0.41) CYP2B6KCNH2SIGMAR1RAB9ALTA4H
Hydrochloric Acid SCHEMBL5223635 0.66 LTA4H (0.38) LTA4HMEN1KMT2ATSHRCHRNB4
SCHEMBL1456783 0.66 CYP2D6 (0.41) CYP2B6KCNH2SIGMAR1RAB9ALTA4H

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-8569342-B2 Diastereomers of 4-aryloxy-3-hydroxypiperidines BRENTWOOD EQUITIES, LTD. (GB) 2013-10-29 US disclosed
EP-1667972-B1 DIASTEREOMERS OF 4-ARYLOXY-3-HYDROXYPIPERIDINES BRENTWOOD EQUITIES LTD (GB) 2013-06-19 EP disclosed
US-7504419-B2 Diastereomers of 4-aryloxy-3-hydroxypiperidines RATTAN BALVINDER SINGH 2009-03-17 US disclosed
US-20080287500-A1 Diastereomers of 4-aryloxy-3-hydroxypiperidines BRENTWOOD EQUITIES, LTD. 2008-11-20 US disclosed
EP-1667972-A2 DIASTEREOMERS OF 4-ARYLOXY-3-HYDROXYPIPERIDINES BRENTWOOD EQUITIES LTD. (GB) 2006-06-14 EP disclosed
US-20050203136-A1 Diastereomers of 4-aryloxy-3-hydroxypiperidines RATTAN BALVINDER S (GB) 2005-09-15 US disclosed
WO-2005023767-A2 DIASTEREOMERS OF 4-ARYLOXY-3-HYDROXYPIPERIDINES BRENTWOOD EQUITIES LTD. (US) 2005-03-17 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-20050203136-A1 Diastereomers of 4-aryloxy-3-hydroxypiperidines HTR2C, HTR4, HTR5A GRIN1 352/4885GRIN2A 92/4885GRIN2B 184/4885
US-20080287500-A1 Diastereomers of 4-aryloxy-3-hydroxypiperidines HTR2C, HTR4, HTR5A GRIN1 352/4885GRIN2A 92/4885GRIN2B 184/4885

“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.