SCHEMBL5457573

SCHEMBL5457573

COCc1ccc(C2(O)CCN(CC(O)c3cc(C)c(O)cc3C)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39
GRIN2D O15399 3/20 0.35
GRIN3B O60391 3/20 0.35
ADRA1A P35348 3/20 0.35
GRIN1 Q05586 3/20 0.35
GRIN2A Q12879 3/20 0.35
GRIN2B Q13224 3/20 0.35
GRIN2C Q14957 3/20 0.35
GRIN3A Q8TCU5 3/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1B P35368 1/20 0.35
CCR5 P51681 1/20 0.35
OPRL1 P41146 4/20 0.35
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
ABCB1 P08183 3/20 0.34
CCR3 P51677 1/20 0.33
TACR2 P21452 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
SCHEMBL5463234 0.85 ADRB2 (0.41) CYP2D6ADRA1AGRIN2BADRA1DADRA1B
SCHEMBL5462583 0.84 CYP2D6 (0.36) CYP2D6CCR5ABCB1TACR2
SCHEMBL5460592 0.81 KCNJ1 (0.41) CYP2D6OPRL1OPRM1OPRD1OPRK1
SCHEMBL5457671 0.80 GRIN2B (0.49) CYP2D6GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5464081 0.78 CYP2D6 (0.49) CYP2D6CCR5TACR2
SCHEMBL5474373 0.78 KCNH2 (0.52) CYP2D6GRIN2BOPRL1OPRM1OPRD1
Hydrochloric Acid SCHEMBL5457703 0.78 CYP2D6 (0.48) CYP2D6ADRA1AADRA1DADRA1BCCR5
SCHEMBL5460231 0.74 CCR5 (0.35) GRIN2BCCR5ABCB1TACR2
SCHEMBL5476791 0.73 KCNH2 (0.39) CYP2D6GRIN2B
SCHEMBL5457601 0.72 CCR1 (0.52) GRIN2BOPRL1OPRM1OPRD1OPRK1

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 CYP2D6 1081/4885GRIN2D 8/4885GRIN3B 5/4885

“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.