Sugi Predict

Sugi Predict / Compounds / SCHEMBL6902035

SCHEMBL6902035

SCHEMBL6902035

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.43
▸ ADRB2 P07550 1/20 0.43
▸ ADRB1 P08588 1/20 0.43
▸ ADRB3 P13945 1/20 0.43
▸ GRIN2B Q13224 3/20 0.42
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNA5 P30532 1/20 0.42
▸ CHRNA7 P36544 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ ADAM17 P78536 2/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ OPRM1 P35372 3/20 0.40
▸ OPRK1 P41145 3/20 0.40
▸ OPRL1 P41146 3/20 0.40
▸ OPRD1 P41143 2/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ MAOB P27338 1/20 0.39
▸ NR4A1 P22736 1/20 0.38
▸ NR4A2 P43354 1/20 0.38

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
SCHEMBL6698141 1.00 ABCB1 (0.43) ABCB1ADRB2ADRB1ADRB3GRIN2B
SCHEMBL6151725 0.90 GRIN2B (0.50) ABCB1GRIN2BADAM17MMP2MMP9
SCHEMBL6690779 0.90 GRIN2B (0.50) ABCB1GRIN2BADAM17MMP2MMP9
SCHEMBL6152148 0.90 GRIN2B (0.50) ABCB1GRIN2BADAM17MMP2MMP9
SCHEMBL6154688 0.87 ABCB1 (0.42) ABCB1ADRB2ADRB1ADRB3GRIN2B
SCHEMBL6690809 0.87 GRIN2B (0.43) ABCB1ADRB2ADRB1ADRB3GRIN2B
SCHEMBL6690805 0.85 GRIN2B (0.44) ABCB1GRIN2BADAM17MMP2MMP9
SCHEMBL8857324 0.80 OPRL1 (0.51) GRIN2BCHRNB2CHRNA4OPRM1OPRK1
SCHEMBL7331271 0.78 GRIN2B (0.55) GRIN2BADAM17MMP2MMP9OPRM1
SCHEMBL9131979 0.78 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
US-6743921-B2 HYDROGENATION OF A CORRESPONDING NONRACEMIC 1-(4-BENZOXY PHENYL)-2-(4-HYDROXY-4-PHENYL-PIPERIDIN-1-YL)-1-PROPANONE USING A CATALYST SYSTEM COMPRISING RUTHENIUM, A NONRACEMIC DIPHOSPHINE LIGAND, A BIDENTATE AMINE LIGAND SELECTED FROM DSM CATALYTICA PHARMACEUTICALS, INC. 2004-06-01 — — US disclosed
US-20030144521-A1 Process for the preparation of nonracemic syn-1-(4-hydroxy-phenyl)-2-(4-hydroxy-4-phenyl -piperidin-1-yl)-1-propanol compounds DSM CATALYTICA PHARMACEUTICALS, INC. 2003-07-31 — — US disclosed
WO-2003062180-A1 PROCESS FOR THE PREPARATION OF NONRACEMIC SYN-1-(4-HYDROXY-PHENYL)-2-(4-HYDROXY-4-PHENYL-PIPERIDIN-1-YL)-1-PROPANOL COMPOUNDS DSM N.V. (NL) 2003-07-31 — — 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-20030144521-A1 Process for the preparation of nonracemic syn-1-(4-hydroxy-phenyl)-2-(4-hydroxy-4-phenyl -piperidin-1-yl)-1-propanol compounds SYNJ1, HRH4, HRH3 ABCB1 3556/4885ADRB2 93/4885ADRB1 50/4885

“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.