SCHEMBL5457356

SCHEMBL5457356

Cc1cc(C(O)CN2CCC(O)(c3cccc(F)c3)CC2)ccc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.54
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
OPRL1 P41146 1/20 0.46
GRIN2B Q13224 3/20 0.46
ABCB1 P08183 7/20 0.44
MRGPRX4 Q96LA9 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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 0.86 KCNH2 (0.55) KCNH2OPRM1OPRD1OPRK1OPRL1
SCHEMBL5702234 0.82 OPRM1 (0.49) KCNH2OPRM1OPRD1OPRK1OPRL1
SCHEMBL5461404 0.82 KCNH2 (0.44) KCNH2ABCB1
SCHEMBL5464120 0.82 KCNH2 (0.61) KCNH2OPRM1OPRD1OPRK1OPRL1
SCHEMBL5464013 0.82 PDE10A (0.41) KCNH2GRIN2BABCB1
SCHEMBL5454953 0.81 ALDH1A1 (0.48) OPRM1OPRD1OPRK1OPRL1GRIN2B
SCHEMBL5457685 0.79 ABCB1 (0.49) KCNH2OPRM1OPRD1OPRK1OPRL1
SCHEMBL5468561 0.78 KCNH2 (0.64) KCNH2OPRM1OPRD1OPRK1OPRL1
SCHEMBL5468877 0.76 KCNH2 (0.55) KCNH2OPRM1OPRD1OPRK1OPRL1
SCHEMBL5455127 0.76 KCNH2 (0.42) KCNH2GRIN2BABCB1KDM4EHTT

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 1 patent. 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

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 KCNH2 163/4885OPRM1 21/4885OPRD1 14/4885

“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.