SCHEMBL3662100

SCHEMBL3662100

COc1ccc(C2(O)CCN(C(=O)O)CC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 1/20 0.41
CCR2 P41597 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NNMT P40261 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
KCNH2 Q12809 3/20 0.40
NPY1R P25929 1/20 0.40
SLC6A4 P31645 1/20 0.40
OPRM1 P35372 2/20 0.40
OPRK1 P41145 2/20 0.40
OPRL1 P41146 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
OPRD1 P41143 1/20 0.39
GRIN2B Q13224 1/20 0.38

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
SCHEMBL2790975 0.92 ALDH1A1 (0.40) LMNAALDH1A1KDM4ECCR2MEN1
SCHEMBL5468647 0.87 MAPT (0.47) LMNAALDH1A1CCR2MEN1KMT2A
SCHEMBL23112352 0.86 NNMT (0.42) LMNAALDH1A1KDM4ECCR2MEN1
SCHEMBL5462315 0.85 GHSR (0.44) LMNAALDH1A1MEN1KMT2ACYP2D6
SCHEMBL3024794 0.84 GPR119 (0.53) LMNAALDH1A1CCR2OPRK1OPRD1
SCHEMBL23647652 0.83 NNMT (0.43) LMNAALDH1A1KMT2ANNMTKCNH2
SCHEMBL5696623 0.82 KCNH2 (0.41) LMNAALDH1A1CCR2MEN1KMT2A
SCHEMBL12488846 0.82 ALDH1A1 (0.45) LMNAALDH1A1MEN1KMT2AOPRM1
SCHEMBL2264503 0.81 HDAC3 (0.48) MEN1KMT2ACYP2D6OPRM1OPRK1
SCHEMBL23231746 0.79 NNMT (0.41) ALDH1A1KDM4ECCR2MEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2235010-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS AstraZeneca AB (SE) 2010-10-06 EP disclosed
WO-2009081197-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS ASTRAZENECA AB (SE) 2009-07-02 WO disclosed
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 LMNA 4874/4885ALDH1A1 893/4885KDM4E 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.