SCHEMBL3838532

SCHEMBL3838532

CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)CN1CCC(C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.53
HRH1 P35367 1/20 0.53
HTR2A P28223 2/20 0.51
CYP2D6 P10635 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
PABPC1 P11940 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
ATM Q13315 1/20 0.48
CYP2C19 P33261 1/20 0.46

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
SCHEMBL3857020 1.00 HRH2 (0.53) HRH2HRH1HTR2ACYP2D6KDM4E
SCHEMBL3838961 0.91 HTR2A (0.47) HRH2HRH1HTR2ACYP2D6PABPC1
SCHEMBL7238700 0.90 SLC18A3 (0.51) HRH2HRH1HTR2ACYP3A4
SCHEMBL3843208 0.90 SLC18A3 (0.51) HRH2HRH1HTR2ACYP3A4
SCHEMBL3839834 0.88 HSD11B1 (0.50) HRH2HRH1HTR2APABPC1
SCHEMBL3838969 0.87 PABPC1 (0.45) HRH2HRH1HTR2ACYP2D6KDM4E
SCHEMBL272157 0.83 ATM (0.64) CYP3A4ATM
SCHEMBL31404216 0.80 ATM (0.60) ATM
SCHEMBL30757694 0.80 ATM (0.60) ATM
SCHEMBL6990678 0.80 SMN1; SMN2 (0.51) HRH2HRH1HTR2ACYP2D6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303488-B1 PIPERIDINE COMPOUNDS FOR USE AS CCR-3 INHIBITORS NOVARTIS AG (CH) 2009-11-04 EP disclosed
US-6670379-B2 Inflammatory or allergic conditions, asthma, inhibition of eosinophil activation, conjunctivitis; (1-((R2-Amino-3-pyridin-3-yl-propyl)-piperidin-4-yl)-(4-fluoro-phenyl) -methanone NOVARTIS AG (CH) 2003-12-30 US disclosed
US-20030176460-A1 Piperidine compounds for use as ccr-3 inhibitors NOVARTIS AG (CH) 2003-09-18 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-20030176460-A1 Piperidine compounds for use as ccr-3 inhibitors CCR1, CCR3, CCR4 HRH2 95/4885HRH1 64/4885HTR2A 2347/4885

“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.