SCHEMBL6505689

SCHEMBL6505689

O=C(O)C1(c2cccc(F)c2)CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.48
USP2 O75604 2/20 0.48
ALOX15 P16050 1/20 0.48
CYP2C19 P33261 3/20 0.47
ALDH1A1 P00352 2/20 0.47
AKR1C1 Q04828 2/20 0.46
OPRM1 P35372 3/20 0.44
CYP3A4 P08684 2/20 0.43
APP P05067 2/20 0.43
CYP2C9 P11712 2/20 0.43
HSD11B1 P28845 1/20 0.42
TACR1 P25103 1/20 0.41
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
OPRL1 P41146 1/20 0.40
CCR2 P41597 1/20 0.40

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
SCHEMBL301111 0.89 AKR1C1 (0.53) CYP2D6CYP2C19AKR1C1OPRM1CYP3A4
SCHEMBL2703415 0.86 USP2 (0.44) CYP2D6USP2ALOX15CYP2C19ALDH1A1
SCHEMBL2079237 0.85 AKR1C1 (0.65) CYP2C19ALDH1A1AKR1C1CYP3A4APP
SCHEMBL2535205 0.85 AKR1C1 (0.59) CYP2D6CYP2C19ALDH1A1AKR1C1OPRM1
SCHEMBL30487797 0.85 AKR1C1 (0.65) CYP2C19ALDH1A1AKR1C1CYP3A4APP
SCHEMBL3219884 0.84 AKR1C1 (0.62) CYP2C19ALDH1A1AKR1C1CYP3A4APP
SCHEMBL435932 0.84 AKR1C1 (0.62) CYP2C19ALDH1A1AKR1C1CYP3A4APP
SCHEMBL373567 0.81 AKR1C1 (0.68) ALOX15CYP2C19AKR1C1OPRM1HSD11B1
SCHEMBL5768673 0.81 AKR1C1 (0.46) CYP2D6CYP2C19AKR1C1OPRM1CYP3A4
SCHEMBL1626768 0.81 ALDH1A1 (0.48) USP2CYP2C19ALDH1A1AKR1C1CYP3A4

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-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2005-06-30 US disclosed
WO-2003037271-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS,INC. (US) 2003-05-08 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-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor CCR8, CCL11, CCR5 CYP2D6 1424/4885USP2 3886/4885ALOX15 388/4885

“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.