SCHEMBL5474491

SCHEMBL5474491

CCc1cc(C(O)CN2CCC(O)(c3cccc(F)c3)CC2)c(CC)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.53
OPRL1 P41146 4/20 0.45
OPRM1 P35372 4/20 0.45
OPRD1 P41143 3/20 0.45
OPRK1 P41145 2/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.42
GRIN2B Q13224 2/20 0.40
DRD2 P14416 2/20 0.40
CYP2D6 P10635 2/20 0.39
ABCB11 O95342 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
THPO P40225 1/20 0.39
MTOR P42345 1/20 0.39
EBP Q15125 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL5474373 0.82 KCNH2 (0.52) KCNH2OPRL1OPRM1OPRD1OPRK1
SCHEMBL5468540 0.82 KCNH2 (0.53) KCNH2OPRL1OPRM1OPRD1OPRK1
SCHEMBL5460550 0.81 KCNH2 (0.51) KCNH2OPRL1OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL5457614 0.81 KCNH2 (0.52) KCNH2OPRL1OPRM1OPRD1OPRK1
SCHEMBL5460383 0.81 KCNH2 (0.54) KCNH2OPRL1OPRM1OPRD1OPRK1
SCHEMBL5468561 0.78 KCNH2 (0.64) KCNH2OPRL1OPRM1OPRD1OPRK1
SCHEMBL5464120 0.78 KCNH2 (0.61) KCNH2OPRL1OPRM1OPRD1OPRK1
SCHEMBL5457442 0.78 KCNH2 (0.63) KCNH2OPRL1OPRM1OPRD1OPRK1
SCHEMBL5457660 0.76 KCNH2 (0.59) KCNH2OPRL1OPRM1OPRD1OPRK1
SCHEMBL5751838 0.74 KCNH2 (0.69) KCNH2OPRL1OPRM1OPRD1OPRK1

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 163/4885OPRL1 6/4885OPRM1 21/4885

“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.