SCHEMBL6761395

SCHEMBL6761395

O=C(O)c1ccc(OCC(=O)N2[C@@H]3CC[C@H]2CC(Oc2ccc(F)cc2)C3)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.46
EPHX2 P34913 3/20 0.46
FAAH O00519 1/20 0.46
ENPP2 Q13822 1/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SSTR5 P35346 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
OPRK1 P41145 1/20 0.44
KCNH2 Q12809 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
LTA4H P09960 1/20 0.44
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
FKBP1A P62942 1/20 0.43
LMNA P02545 2/20 0.42

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
SCHEMBL6761400 1.00 NR4A2 (0.46) NR4A2EPHX2FAAHENPP2KMT2A
SCHEMBL6763055 0.91 KMT2A (0.51) KMT2AMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL6763048 0.91 KMT2A (0.51) KMT2AMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL6763172 0.87 POLB (0.46) EPHX2KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6761926 0.87 KMT2A (0.47) KMT2AMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL6761923 0.87 KMT2A (0.47) KMT2AMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL6760373 0.87 CCR1 (0.47) EPHX2KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6763166 0.87 POLB (0.46) EPHX2KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6760372 0.87 CCR1 (0.47) EPHX2KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6765088 0.86 EPHX2 (0.47) EPHX2ENPP2KMT2AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063688-A1 Novel piperidine derivatives PFIZER INC. 2004-04-01 US claimed
US-20040063688-A1 Novel piperidine derivatives PFIZER INC. 2004-04-01 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-20040063688-A1 Novel piperidine derivatives CCR1, CCR3, CCR2 NR4A2 515/4885EPHX2 3279/4885FAAH 2014/4885

“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.