SCHEMBL6763166

SCHEMBL6763166

O=C(COc1ccc(Br)cc1)N1[C@@H]2CC[C@H]1CC(Oc1ccc(F)cc1)C2

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
EPHX2 P34913 1/20 0.45
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.43
FKBP1A P62942 1/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 1/20 0.42
NAAA Q02083 1/20 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
SCHEMBL6763172 1.00 POLB (0.46) POLBEPHX2ALDH1A1KMT2AMEN1
SCHEMBL6763055 0.89 KMT2A (0.51) POLBALDH1A1KMT2AMEN1FKBP1A
SCHEMBL6763048 0.89 KMT2A (0.51) POLBALDH1A1KMT2AMEN1FKBP1A
SCHEMBL6760373 0.88 CCR1 (0.47) POLBEPHX2ALDH1A1KMT2AMEN1
SCHEMBL6760372 0.88 CCR1 (0.47) POLBEPHX2ALDH1A1KMT2AMEN1
SCHEMBL6761926 0.88 KMT2A (0.47) POLBALDH1A1KMT2AMEN1FKBP1A
SCHEMBL6761923 0.88 KMT2A (0.47) POLBALDH1A1KMT2AMEN1FKBP1A
SCHEMBL6761400 0.87 NR4A2 (0.46) POLBEPHX2ALDH1A1KMT2AMEN1
SCHEMBL6761395 0.87 NR4A2 (0.46) POLBEPHX2ALDH1A1KMT2AMEN1
SCHEMBL6765087 0.87 EPHX2 (0.47) POLBEPHX2ALDH1A1KMT2AMEN1

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 POLB 1556/4885EPHX2 3279/4885ALDH1A1 1323/4885

“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.