SCHEMBL14595456

SCHEMBL14595456

COc1ccc(C(=O)CN2CCC(C)(C)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.69
LMNA P02545 2/20 0.68
KDM4E B2RXH2 1/20 0.68
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
PKM P14618 1/20 0.53
TP53 P04637 1/20 0.52
POLB P06746 2/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
GRIN2B Q13224 2/20 0.49
KDR P35968 1/20 0.49
NSD2 O96028 1/20 0.49
GAA P10253 1/20 0.49
GFER P55789 1/20 0.49
GRIN1 Q05586 1/20 0.49

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
SCHEMBL15935698 0.84 ALDH1A1 (0.94) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL15503835 0.83 ALDH1A1 (0.97) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL4874455 0.82 ALDH1A1 (0.76) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL4873274 0.81 ALDH1A1 (0.71) ALDH1A1LMNAKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL3844533 0.79 ALDH1A1 (0.69) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL15033016 0.78 ALDH1A1 (0.68) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL6500831 0.77 ALDH1A1 (0.68) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL6400029 0.77 ALDH1A1 (0.65) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL19190490 0.76 ALDH1A1 (0.64) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL19190655 0.75 ALDH1A1 (0.63) ALDH1A1LMNAKDM4EMEN1KMT2A

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 ALDH1A1 893/4885LMNA 4874/4885KDM4E 764/4885

“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.