SCHEMBL5002483

SCHEMBL5002483

C[C@@H](Oc1cccc(N)c1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
GAA P10253 1/20 0.54
CYP2C9 P11712 1/20 0.54
PKM P14618 1/20 0.54
CYP2C19 P33261 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CYP3A4 P08684 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAOB P27338 2/20 0.48
PPARG P37231 2/20 0.47
PPARA Q07869 2/20 0.47
OGG1 O15527 1/20 0.46
KMT2A Q03164 2/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.43
PDK2 Q15119 1/20 0.43
CPN1 P15169 1/20 0.42
CPB2 Q96IY4 1/20 0.42
PTGS1 P23219 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL6016187 0.86 ALDH1A1 (0.50) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL14323099 0.83 PPARG (0.50) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL27751190 0.81 CYP3A4 (0.46) TDP1CYP3A4ALDH1A1MAOBOGG1
Methylamine SCHEMBL27849104 0.81 CYP1A2 (0.72) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL473828 0.81 CYP1A2 (0.78) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL127395 0.81 CYP1A2 (0.78) CYP1A2GAACYP2C9PKMCYP2C19
Benzene SCHEMBL27779381 0.81 CYP1A2 (0.78) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL43054 0.81 CYP1A2 (0.78) CYP1A2GAACYP2C9PKMCYP2C19
SCHEMBL7331938 0.80 CYP3A4 (0.53) TDP1CYP3A4ALDH1A1OGG1KMT2A
SCHEMBL9559199 0.80 CYP1A2 (0.56) CYP1A2GAACYP2C9PKMCYP2C19

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-20080262037-A1 Piperidine Derivatives for the Treatment of Chemokine Mediated Disease ASTRAZENECA AB (SE) 2008-10-23 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-20080262037-A1 Piperidine Derivatives for the Treatment of Chemokine Mediated Disease CCR3, CCR1, CCR4 CYP1A2 2413/4885GAA 3863/4885CYP2C9 4354/4885

“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.