SCHEMBL5457685

SCHEMBL5457685

OC(CN1CCC(O)(c2cccc(F)c2)CC1)c1ccc(OCc2ccccc2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.49
KCNH2 Q12809 2/20 0.47
OPRL1 P41146 2/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
GRIN2B Q13224 2/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CCR1 P32246 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
FFAR1 O14842 2/20 0.39
POLB P06746 1/20 0.39
ALOX5 P09917 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
SCHEMBL5460399 0.89 KCNH2 (0.55) ABCB1KCNH2OPRL1OPRM1OPRD1
SCHEMBL5460383 0.83 KCNH2 (0.54) KCNH2OPRL1OPRM1OPRD1OPRK1
SCHEMBL5457368 0.82 ABCB1 (0.44) ABCB1KCNH2OPRL1OPRM1OPRD1
SCHEMBL5457356 0.79 KCNH2 (0.54) ABCB1KCNH2OPRL1OPRM1OPRD1
SCHEMBL5468540 0.78 KCNH2 (0.53) KCNH2OPRL1OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL5457614 0.77 KCNH2 (0.52) KCNH2OPRL1OPRM1OPRD1OPRK1
SCHEMBL5463013 0.77 NR4A2 (0.50) ABCB1OPRL1OPRM1OPRD1OPRK1
SCHEMBL5460550 0.75 KCNH2 (0.51) KCNH2OPRL1OPRM1OPRD1OPRK1
SCHEMBL5468561 0.74 KCNH2 (0.64) KCNH2OPRL1OPRM1OPRD1OPRK1
SCHEMBL6042553 0.74 OPRL1 (0.66) OPRL1TSHRRAB9AHRH3KMT2A

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-20070021414-A1 1-'2-(4-Hydroxyphenyl)-2-hydroxyethyl!-piperidin-4-ol compounds as nmda receptor antagonists PFIZER, INC. 2007-01-25 US disclosed
EP-1673366-A1 1-\"2-(4-HYDROXYPHENYL)-2-HYDROXYETHYL]-PIPERIDIN-4-OL COMPOUNDS AS NMDA RECEPTOR ANTAGONISTS Pfizer, Inc. (US) 2006-06-28 EP disclosed
WO-2005035522-A1 1-‘2-(4-HYDROXYPHENYL)-2-HYDROXYETHYL!-PIPERIDIN-4-OL COMPOUNDS AS NMDA RECEPTOR ANTAGONISTS PFIZER JAPAN, INC. (JP) 2005-04-21 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-20070021414-A1 1-'2-(4-Hydroxyphenyl)-2-hydroxyethyl!-piperidin-4-ol compounds as nmda receptor antagonists GRIN1, GRIN3A, GRIN2C ABCB1 803/4885KCNH2 163/4885OPRL1 6/4885

“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.