SCHEMBL6690809

SCHEMBL6690809

C[C@@H](C(=O)c1ccc(OCc2ccccc2)cc1)N1CCC(O)(c2ccccc2)CC1.O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1ccccc1)C(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.43
ABCB1 P08183 1/20 0.42
ADAM17 P78536 2/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
OPRM1 P35372 4/20 0.41
OPRK1 P41145 4/20 0.41
OPRL1 P41146 4/20 0.41
OPRD1 P41143 3/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA5 P30532 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
CHRM4 P08173 1/20 0.40
MAOB P27338 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 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
SCHEMBL6154688 0.95 ABCB1 (0.42) GRIN2BABCB1ADAM17MMP2MMP9
SCHEMBL6690779 0.91 GRIN2B (0.50) GRIN2BABCB1ADAM17MMP2MMP9
SCHEMBL6151725 0.91 GRIN2B (0.50) GRIN2BABCB1ADAM17MMP2MMP9
SCHEMBL6152148 0.91 GRIN2B (0.50) GRIN2BABCB1ADAM17MMP2MMP9
SCHEMBL6698141 0.87 ABCB1 (0.43) GRIN2BABCB1ADAM17MMP2MMP9
SCHEMBL6902035 0.87 ABCB1 (0.43) GRIN2BABCB1ADAM17MMP2MMP9
SCHEMBL6690805 0.85 GRIN2B (0.44) GRIN2BABCB1ADAM17MMP2MMP9
SCHEMBL8857324 0.81 OPRL1 (0.51) GRIN2BOPRM1OPRK1OPRL1OPRD1
SCHEMBL7331271 0.79 GRIN2B (0.55) GRIN2BADAM17MMP2MMP9OPRM1
SCHEMBL9131979 0.79 GRIN2B (0.55) GRIN2BADAM17MMP2MMP9OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1149831-B1 Process for the preparation of the mesylate salt trihydrate of 1-(4-hydroxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-propanol and intermediates useful therefor PFIZER PROD INC (US) 2004-09-01 EP disclosed
US-20020016466-A1 Process for the preparation of the mesylate salt trihydrate of 1-(4-hydroxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-propanol and intermediates useful therefor PFIZER INC. 2002-02-07 US disclosed
EP-1149831-A1 Process for the preparation of the mesylate salt trihydrate of 1-(4-hydroxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-propanol and intermediates useful therefor Pfizer Products Inc. (US) 2001-10-31 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-20020016466-A1 Process for the preparation of the mesylate salt trihydrate of 1-(4-hydroxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)-1-propanol and intermediates useful therefor CYP4A11, CYP2S1, CYP4B1 GRIN2B 3961/4885ABCB1 994/4885ADAM17 4279/4885

“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.